2-chloro-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidine;6-chloro-1H-pyrimidin-2-one;3-[3-(dimethylamino)propylsulfonylmethyl]aniline;N,N-dimethyl-3-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methylsulfonyl]propan-1-amine;2-methyl-1H-inden-5-ol

C66H74Cl2N10O8S2 — CID 158598808

IUPAC2-chloro-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidine;6-chloro-1H-pyrimidin-2-one;3-[3-(dimethylamino)propylsulfonylmethyl]aniline;N,N-dimethyl-3-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methylsulfonyl]propan-1-amine;2-methyl-1H-inden-5-ol
SMILESCC1=Cc2cc(O)ccc2C1.CC1=Cc2cc(Oc3ccnc(Cl)n3)ccc2C1.CN(C)CCCS(=O)(=O)Cc1cccc(N)c1.Cc1cc2cc(Oc3ccnc(Cc4cccc(CS(=O)(=O)CCCN(C)C)c4)n3)ccc2[nH]1.O=c1nccc(Cl)[nH]1
InChIInChI=1S/C26H30N4O3S.C14H11ClN2O.C12H20N2O2S.C10H10O.C4H3ClN2O/c1-19-14-22-17-23(8-9-24(22)28-19)33-26-10-11-27-25(29-26)16-20-6-4-7-21(15-20)18-34(31,32)13-5-12-30(2)3;1-9-6-10-2-3-12(8-11(10)7-9)18-13-4-5-16-14(15)17-13;1-14(2)7-4-8-17(15,16)10-11-5-3-6-12(13)9-11;1-7-4-8-2-3-10(11)6-9(8)5-7;5-3-1-2-6-4(8)7-3/h4,6-11,14-15,17,28H,5,12-13,16,18H2,1-3H3;2-5,7-8H,6H2,1H3;3,5-6,9H,4,7-8,10,13H2,1-2H3;2-3,5-6,11H,4H2,1H3;1-2H,(H,6,7,8)
InChIKeyHVJGXUDPVAXWAU-UHFFFAOYSA-N
MW1270.42 g/mol
LogP12.31
Rot. Bonds18

About 2-chloro-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidine;6-chloro-1H-pyrimidin-2-one;3-[3-(dimethylamino)propylsulfonylmethyl]aniline;N,N-dimethyl-3-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methylsulfonyl]propan-1-amine;2-methyl-1H-inden-5-ol

2-chloro-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidine;6-chloro-1H-pyrimidin-2-one;3-[3-(dimethylamino)propylsulfonylmethyl]aniline;N,N-dimethyl-3-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methylsulfonyl]propan-1-amine;2-methyl-1H-inden-5-ol (PubChem CID 158598808) has the molecular formula C66H74Cl2N10O8S2 and a molecular weight of 1270.42 g/mol. Its IUPAC name is 2-chloro-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidine;6-chloro-1H-pyrimidin-2-one;3-[3-(dimethylamino)propylsulfonylmethyl]aniline;N,N-dimethyl-3-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methylsulfonyl]propan-1-amine;2-methyl-1H-inden-5-ol.

Molecular Properties

Compound Name2-chloro-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidine;6-chloro-1H-pyrimidin-2-one;3-[3-(dimethylamino)propylsulfonylmethyl]aniline;N,N-dimethyl-3-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methylsulfonyl]propan-1-amine;2-methyl-1H-inden-5-ol
PubChem CID158598808
Molecular FormulaC66H74Cl2N10O8S2
Molecular Weight1270.42 g/mol
Exact Mass1268.45
IUPAC Name2-chloro-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidine;6-chloro-1H-pyrimidin-2-one;3-[3-(dimethylamino)propylsulfonylmethyl]aniline;N,N-dimethyl-3-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methylsulfonyl]propan-1-amine;2-methyl-1H-inden-5-ol
SMILESCC1=Cc2cc(O)ccc2C1.CC1=Cc2cc(Oc3ccnc(Cl)n3)ccc2C1.CN(C)CCCS(=O)(=O)Cc1cccc(N)c1.Cc1cc2cc(Oc3ccnc(Cc4cccc(CS(=O)(=O)CCCN(C)C)c4)n3)ccc2[nH]1.O=c1nccc(Cl)[nH]1
InChIInChI=1S/C26H30N4O3S.C14H11ClN2O.C12H20N2O2S.C10H10O.C4H3ClN2O/c1-19-14-22-17-23(8-9-24(22)28-19)33-26-10-11-27-25(29-26)16-20-6-4-7-21(15-20)18-34(31,32)13-5-12-30(2)3;1-9-6-10-2-3-12(8-11(10)7-9)18-13-4-5-16-14(15)17-13;1-14(2)7-4-8-17(15,16)10-11-5-3-6-12(13)9-11;1-7-4-8-2-3-10(11)6-9(8)5-7;5-3-1-2-6-4(8)7-3/h4,6-11,14-15,17,28H,5,12-13,16,18H2,1-3H3;2-5,7-8H,6H2,1H3;3,5-6,9H,4,7-8,10,13H2,1-2H3;2-3,5-6,11H,4H2,1H3;1-2H,(H,6,7,8)
InChIKeyHVJGXUDPVAXWAU-UHFFFAOYSA-N
XLogP12.31
TPSA252.57 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001270.42
LogP ≤ 512.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-chloro-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidine;6-chloro-1H-pyrimidin-2-one;3-[3-(dimethylamino)propylsulfonylmethyl]aniline;N,N-dimethyl-3-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methylsulfonyl]propan-1-amine;2-methyl-1H-inden-5-ol with MolForge

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Related Compounds

N,N-dimethyl-3-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methylsulfonyl]propan-1-amine
CID 146780859
2-methyl-5-[2-[[3-(methylsulfonylmethyl)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole
CID 157385007
N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;5-[[2-[(3-methoxyphenyl)methyl]-4-pyridinyl]oxy]-2-methyl-1H-indole;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]propan-1-one
CID 158900779
5-[2-[[3-(ethylsulfonylmethyl)phenyl]methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole
CID 159153884
2-chloro-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidine;2,4-dichloropyrimidine;3-[3-(dimethylamino)propylsulfonylmethyl]aniline;N,N-dimethyl-3-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methylsulfonyl]propan-1-amine;2-methylidene-1H-inden-7a-ylium-5-ol
CID 159565336
2-N-[3-[2-(methylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;1-methylidene-4-[3-[3-[[4-[(2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]propyl]-1,4-thiazinane;4-N-(2-methyl-1H-inden-5-yl)-2-N-[4-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;2-methyl-5-[[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole
CID 161856822
1-[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-[2-[methyl-[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]ethyl]methanesulfonamide
CID 163208180

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidine;6-chloro-1H-pyrimidin-2-one;3-[3-(dimethylamino)propylsulfonylmethyl]aniline;N,N-dimethyl-3-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methylsulfonyl]propan-1-amine;2-methyl-1H-inden-5-ol?
The IUPAC name of 2-chloro-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidine;6-chloro-1H-pyrimidin-2-one;3-[3-(dimethylamino)propylsulfonylmethyl]aniline;N,N-dimethyl-3-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methylsulfonyl]propan-1-amine;2-methyl-1H-inden-5-ol (CID 158598808) is 2-chloro-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidine;6-chloro-1H-pyrimidin-2-one;3-[3-(dimethylamino)propylsulfonylmethyl]aniline;N,N-dimethyl-3-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methylsulfonyl]propan-1-amine;2-methyl-1H-inden-5-ol.
What is the SMILES notation for 2-chloro-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidine;6-chloro-1H-pyrimidin-2-one;3-[3-(dimethylamino)propylsulfonylmethyl]aniline;N,N-dimethyl-3-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methylsulfonyl]propan-1-amine;2-methyl-1H-inden-5-ol?
The canonical SMILES for 2-chloro-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidine;6-chloro-1H-pyrimidin-2-one;3-[3-(dimethylamino)propylsulfonylmethyl]aniline;N,N-dimethyl-3-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methylsulfonyl]propan-1-amine;2-methyl-1H-inden-5-ol is CC1=Cc2cc(O)ccc2C1.CC1=Cc2cc(Oc3ccnc(Cl)n3)ccc2C1.CN(C)CCCS(=O)(=O)Cc1cccc(N)c1.Cc1cc2cc(Oc3ccnc(Cc4cccc(CS(=O)(=O)CCCN(C)C)c4)n3)ccc2[nH]1.O=c1nccc(Cl)[nH]1.
What is the InChIKey of 2-chloro-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidine;6-chloro-1H-pyrimidin-2-one;3-[3-(dimethylamino)propylsulfonylmethyl]aniline;N,N-dimethyl-3-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methylsulfonyl]propan-1-amine;2-methyl-1H-inden-5-ol?
The InChIKey is HVJGXUDPVAXWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S.C14H11ClN2O.C12H20N2O2S.C10H10O.C4H3ClN2O/c1-19-14-22-17-23(8-9-24(22)28-19)33-26-10-11-27-25(29-26)16-20-6-4-7-21(15-20)18-34(31,32)13-5-12-30(2)3;1-9-6-10-2-3-12(8-11(10)7-9)18-13-4-5-16-14(15)17-13;1-14(2)7-4-8-17(15,16)10-11-5-3-6-12(13)9-11;1-7-4-8-2-3-10(11)6-9(8)5-7;5-3-1-2-6-4(8)7-3/h4,6-11,14-15,17,28H,5,12-13,16,18H2,1-3H3;2-5,7-8H,6H2,1H3;3,5-6,9H,4,7-8,10,13H2,1-2H3;2-3,5-6,11H,4H2,1H3;1-2H,(H,6,7,8).
What are the key properties of 2-chloro-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidine;6-chloro-1H-pyrimidin-2-one;3-[3-(dimethylamino)propylsulfonylmethyl]aniline;N,N-dimethyl-3-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methylsulfonyl]propan-1-amine;2-methyl-1H-inden-5-ol?
2-chloro-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidine;6-chloro-1H-pyrimidin-2-one;3-[3-(dimethylamino)propylsulfonylmethyl]aniline;N,N-dimethyl-3-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methylsulfonyl]propan-1-amine;2-methyl-1H-inden-5-ol has a molecular weight of 1270.42 g/mol, XLogP of 12.31, 18 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidine;6-chloro-1H-pyrimidin-2-one;3-[3-(dimethylamino)propylsulfonylmethyl]aniline;N,N-dimethyl-3-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methylsulfonyl]propan-1-amine;2-methyl-1H-inden-5-ol is sourced from PubChem (CID 158598808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).