2-chloro-4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidine;2,4-dichloro-6-(3,4-dimethoxyphenyl)pyrimidine;1,2-dimethoxy-4-methylbenzene;4-(3,4-dimethoxyphenyl)-2-[(E)-prop-1-enyl]-6-pyrrolidin-1-ylpyrimidine;2-[(E)-2-[4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine;2,4,6-trichloropyrimidine

C88H94Cl6N16O10 — CID 123710246

IUPAC2-chloro-4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidine;2,4-dichloro-6-(3,4-dimethoxyphenyl)pyrimidine;1,2-dimethoxy-4-methylbenzene;4-(3,4-dimethoxyphenyl)-2-[(E)-prop-1-enyl]-6-pyrrolidin-1-ylpyrimidine;2-[(E)-2-[4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine;2,4,6-trichloropyrimidine
SMILESC/C=C/c1nc(-c2ccc(OC)c(OC)c2)cc(N2CCCC2)n1.COc1ccc(-c2cc(Cl)nc(Cl)n2)cc1OC.COc1ccc(-c2cc(N3CCCC3)nc(/C=C/c3nc(N(C)C)c4ccccc4n3)n2)cc1OC.COc1ccc(-c2cc(N3CCCC3)nc(Cl)n2)cc1OC.COc1ccc(C)cc1OC.Clc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C28H30N6O2.C19H23N3O2.C16H18ClN3O2.C12H10Cl2N2O2.C9H12O2.C4HCl3N2/c1-33(2)28-20-9-5-6-10-21(20)29-26(32-28)14-13-25-30-22(18-27(31-25)34-15-7-8-16-34)19-11-12-23(35-3)24(17-19)36-4;1-4-7-18-20-15(13-19(21-18)22-10-5-6-11-22)14-8-9-16(23-2)17(12-14)24-3;1-21-13-6-5-11(9-14(13)22-2)12-10-15(19-16(17)18-12)20-7-3-4-8-20;1-17-9-4-3-7(5-10(9)18-2)8-6-11(13)16-12(14)15-8;1-7-4-5-8(10-2)9(6-7)11-3;5-2-1-3(6)9-4(7)8-2/h5-6,9-14,17-18H,7-8,15-16H2,1-4H3;4,7-9,12-13H,5-6,10-11H2,1-3H3;5-6,9-10H,3-4,7-8H2,1-2H3;3-6H,1-2H3;4-6H,1-3H3;1H/b14-13+;7-4+;;;;
InChIKeyRFVQHOHIVDWTHN-RJKHCSCYSA-N
MW1748.54 g/mol
LogP20.07
Rot. Bonds21

About 2-chloro-4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidine;2,4-dichloro-6-(3,4-dimethoxyphenyl)pyrimidine;1,2-dimethoxy-4-methylbenzene;4-(3,4-dimethoxyphenyl)-2-[(E)-prop-1-enyl]-6-pyrrolidin-1-ylpyrimidine;2-[(E)-2-[4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine;2,4,6-trichloropyrimidine

2-chloro-4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidine;2,4-dichloro-6-(3,4-dimethoxyphenyl)pyrimidine;1,2-dimethoxy-4-methylbenzene;4-(3,4-dimethoxyphenyl)-2-[(E)-prop-1-enyl]-6-pyrrolidin-1-ylpyrimidine;2-[(E)-2-[4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine;2,4,6-trichloropyrimidine (PubChem CID 123710246) has the molecular formula C88H94Cl6N16O10 and a molecular weight of 1748.54 g/mol. Its IUPAC name is 2-chloro-4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidine;2,4-dichloro-6-(3,4-dimethoxyphenyl)pyrimidine;1,2-dimethoxy-4-methylbenzene;4-(3,4-dimethoxyphenyl)-2-[(E)-prop-1-enyl]-6-pyrrolidin-1-ylpyrimidine;2-[(E)-2-[4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine;2,4,6-trichloropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidine;2,4-dichloro-6-(3,4-dimethoxyphenyl)pyrimidine;1,2-dimethoxy-4-methylbenzene;4-(3,4-dimethoxyphenyl)-2-[(E)-prop-1-enyl]-6-pyrrolidin-1-ylpyrimidine;2-[(E)-2-[4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine;2,4,6-trichloropyrimidine
PubChem CID123710246
Molecular FormulaC88H94Cl6N16O10
Molecular Weight1748.54 g/mol
Exact Mass1744.55
IUPAC Name2-chloro-4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidine;2,4-dichloro-6-(3,4-dimethoxyphenyl)pyrimidine;1,2-dimethoxy-4-methylbenzene;4-(3,4-dimethoxyphenyl)-2-[(E)-prop-1-enyl]-6-pyrrolidin-1-ylpyrimidine;2-[(E)-2-[4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine;2,4,6-trichloropyrimidine
SMILESC/C=C/c1nc(-c2ccc(OC)c(OC)c2)cc(N2CCCC2)n1.COc1ccc(-c2cc(Cl)nc(Cl)n2)cc1OC.COc1ccc(-c2cc(N3CCCC3)nc(/C=C/c3nc(N(C)C)c4ccccc4n3)n2)cc1OC.COc1ccc(-c2cc(N3CCCC3)nc(Cl)n2)cc1OC.COc1ccc(C)cc1OC.Clc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C28H30N6O2.C19H23N3O2.C16H18ClN3O2.C12H10Cl2N2O2.C9H12O2.C4HCl3N2/c1-33(2)28-20-9-5-6-10-21(20)29-26(32-28)14-13-25-30-22(18-27(31-25)34-15-7-8-16-34)19-11-12-23(35-3)24(17-19)36-4;1-4-7-18-20-15(13-19(21-18)22-10-5-6-11-22)14-8-9-16(23-2)17(12-14)24-3;1-21-13-6-5-11(9-14(13)22-2)12-10-15(19-16(17)18-12)20-7-3-4-8-20;1-17-9-4-3-7(5-10(9)18-2)8-6-11(13)16-12(14)15-8;1-7-4-5-8(10-2)9(6-7)11-3;5-2-1-3(6)9-4(7)8-2/h5-6,9-14,17-18H,7-8,15-16H2,1-4H3;4,7-9,12-13H,5-6,10-11H2,1-3H3;5-6,9-10H,3-4,7-8H2,1-2H3;3-6H,1-2H3;4-6H,1-3H3;1H/b14-13+;7-4+;;;;
InChIKeyRFVQHOHIVDWTHN-RJKHCSCYSA-N
XLogP20.07
TPSA259.94 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001748.54
LogP ≤ 520.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 2-chloro-4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidine;2,4-dichloro-6-(3,4-dimethoxyphenyl)pyrimidine;1,2-dimethoxy-4-methylbenzene;4-(3,4-dimethoxyphenyl)-2-[(E)-prop-1-enyl]-6-pyrrolidin-1-ylpyrimidine;2-[(E)-2-[4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine;2,4,6-trichloropyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidine;2,4-dichloro-6-(3,4-dimethoxyphenyl)pyrimidine;1,2-dimethoxy-4-methylbenzene;4-(3,4-dimethoxyphenyl)-2-[(E)-prop-1-enyl]-6-pyrrolidin-1-ylpyrimidine;2-[(E)-2-[4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine;2,4,6-trichloropyrimidine?
The IUPAC name of 2-chloro-4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidine;2,4-dichloro-6-(3,4-dimethoxyphenyl)pyrimidine;1,2-dimethoxy-4-methylbenzene;4-(3,4-dimethoxyphenyl)-2-[(E)-prop-1-enyl]-6-pyrrolidin-1-ylpyrimidine;2-[(E)-2-[4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine;2,4,6-trichloropyrimidine (CID 123710246) is 2-chloro-4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidine;2,4-dichloro-6-(3,4-dimethoxyphenyl)pyrimidine;1,2-dimethoxy-4-methylbenzene;4-(3,4-dimethoxyphenyl)-2-[(E)-prop-1-enyl]-6-pyrrolidin-1-ylpyrimidine;2-[(E)-2-[4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine;2,4,6-trichloropyrimidine.
What is the SMILES notation for 2-chloro-4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidine;2,4-dichloro-6-(3,4-dimethoxyphenyl)pyrimidine;1,2-dimethoxy-4-methylbenzene;4-(3,4-dimethoxyphenyl)-2-[(E)-prop-1-enyl]-6-pyrrolidin-1-ylpyrimidine;2-[(E)-2-[4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine;2,4,6-trichloropyrimidine?
The canonical SMILES for 2-chloro-4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidine;2,4-dichloro-6-(3,4-dimethoxyphenyl)pyrimidine;1,2-dimethoxy-4-methylbenzene;4-(3,4-dimethoxyphenyl)-2-[(E)-prop-1-enyl]-6-pyrrolidin-1-ylpyrimidine;2-[(E)-2-[4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine;2,4,6-trichloropyrimidine is C/C=C/c1nc(-c2ccc(OC)c(OC)c2)cc(N2CCCC2)n1.COc1ccc(-c2cc(Cl)nc(Cl)n2)cc1OC.COc1ccc(-c2cc(N3CCCC3)nc(/C=C/c3nc(N(C)C)c4ccccc4n3)n2)cc1OC.COc1ccc(-c2cc(N3CCCC3)nc(Cl)n2)cc1OC.COc1ccc(C)cc1OC.Clc1cc(Cl)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidine;2,4-dichloro-6-(3,4-dimethoxyphenyl)pyrimidine;1,2-dimethoxy-4-methylbenzene;4-(3,4-dimethoxyphenyl)-2-[(E)-prop-1-enyl]-6-pyrrolidin-1-ylpyrimidine;2-[(E)-2-[4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine;2,4,6-trichloropyrimidine?
The InChIKey is RFVQHOHIVDWTHN-RJKHCSCYSA-N. The full InChI is InChI=1S/C28H30N6O2.C19H23N3O2.C16H18ClN3O2.C12H10Cl2N2O2.C9H12O2.C4HCl3N2/c1-33(2)28-20-9-5-6-10-21(20)29-26(32-28)14-13-25-30-22(18-27(31-25)34-15-7-8-16-34)19-11-12-23(35-3)24(17-19)36-4;1-4-7-18-20-15(13-19(21-18)22-10-5-6-11-22)14-8-9-16(23-2)17(12-14)24-3;1-21-13-6-5-11(9-14(13)22-2)12-10-15(19-16(17)18-12)20-7-3-4-8-20;1-17-9-4-3-7(5-10(9)18-2)8-6-11(13)16-12(14)15-8;1-7-4-5-8(10-2)9(6-7)11-3;5-2-1-3(6)9-4(7)8-2/h5-6,9-14,17-18H,7-8,15-16H2,1-4H3;4,7-9,12-13H,5-6,10-11H2,1-3H3;5-6,9-10H,3-4,7-8H2,1-2H3;3-6H,1-2H3;4-6H,1-3H3;1H/b14-13+;7-4+;;;;.
What are the key properties of 2-chloro-4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidine;2,4-dichloro-6-(3,4-dimethoxyphenyl)pyrimidine;1,2-dimethoxy-4-methylbenzene;4-(3,4-dimethoxyphenyl)-2-[(E)-prop-1-enyl]-6-pyrrolidin-1-ylpyrimidine;2-[(E)-2-[4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine;2,4,6-trichloropyrimidine?
2-chloro-4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidine;2,4-dichloro-6-(3,4-dimethoxyphenyl)pyrimidine;1,2-dimethoxy-4-methylbenzene;4-(3,4-dimethoxyphenyl)-2-[(E)-prop-1-enyl]-6-pyrrolidin-1-ylpyrimidine;2-[(E)-2-[4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine;2,4,6-trichloropyrimidine has a molecular weight of 1748.54 g/mol, XLogP of 20.07, 21 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidine;2,4-dichloro-6-(3,4-dimethoxyphenyl)pyrimidine;1,2-dimethoxy-4-methylbenzene;4-(3,4-dimethoxyphenyl)-2-[(E)-prop-1-enyl]-6-pyrrolidin-1-ylpyrimidine;2-[(E)-2-[4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine;2,4,6-trichloropyrimidine is sourced from PubChem (CID 123710246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).