N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine;4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4-diamine;methane;N-methylmethanamine;N-phenyl-4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-amine;4-[4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-yl]morpholine

C58H73F8N15O4 — CID 158919193

IUPACN,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine;4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4-diamine;methane;N-methylmethanamine;N-phenyl-4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-amine;4-[4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-yl]morpholine
SMILESC.C.C.C.CN(C)c1ccnc(N2CCOCC2)n1.CN(C)c1ccnc(Nc2ccccc2)n1.CNC.Fc1cc(F)c(F)c(Oc2ccnc(N3CCOCC3)n2)c1F.Fc1cc(F)c(F)c(Oc2ccnc(Nc3ccccc3)n2)c1F
InChIInChI=1S/C16H9F4N3O.C14H11F4N3O2.C12H14N4.C10H16N4O.C2H7N.4CH4/c17-10-8-11(18)14(20)15(13(10)19)24-12-6-7-21-16(23-12)22-9-4-2-1-3-5-9;15-8-7-9(16)12(18)13(11(8)17)23-10-1-2-19-14(20-10)21-3-5-22-6-4-21;1-16(2)11-8-9-13-12(15-11)14-10-6-4-3-5-7-10;1-13(2)9-3-4-11-10(12-9)14-5-7-15-8-6-14;1-3-2;;;;/h1-8H,(H,21,22,23);1-2,7H,3-6H2;3-9H,1-2H3,(H,13,14,15);3-4H,5-8H2,1-2H3;3H,1-2H3;4*1H4
InChIKeyJHPVCCAVVIZMPD-UHFFFAOYSA-N
MW1196.31 g/mol
LogP12.28
Rot. Bonds12

About N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine;4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4-diamine;methane;N-methylmethanamine;N-phenyl-4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-amine;4-[4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-yl]morpholine

N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine;4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4-diamine;methane;N-methylmethanamine;N-phenyl-4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-amine;4-[4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-yl]morpholine (PubChem CID 158919193) has the molecular formula C58H73F8N15O4 and a molecular weight of 1196.31 g/mol. Its IUPAC name is N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine;4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4-diamine;methane;N-methylmethanamine;N-phenyl-4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-amine;4-[4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound NameN,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine;4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4-diamine;methane;N-methylmethanamine;N-phenyl-4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-amine;4-[4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-yl]morpholine
PubChem CID158919193
Molecular FormulaC58H73F8N15O4
Molecular Weight1196.31 g/mol
Exact Mass1195.58
IUPAC NameN,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine;4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4-diamine;methane;N-methylmethanamine;N-phenyl-4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-amine;4-[4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-yl]morpholine
SMILESC.C.C.C.CN(C)c1ccnc(N2CCOCC2)n1.CN(C)c1ccnc(Nc2ccccc2)n1.CNC.Fc1cc(F)c(F)c(Oc2ccnc(N3CCOCC3)n2)c1F.Fc1cc(F)c(F)c(Oc2ccnc(Nc3ccccc3)n2)c1F
InChIInChI=1S/C16H9F4N3O.C14H11F4N3O2.C12H14N4.C10H16N4O.C2H7N.4CH4/c17-10-8-11(18)14(20)15(13(10)19)24-12-6-7-21-16(23-12)22-9-4-2-1-3-5-9;15-8-7-9(16)12(18)13(11(8)17)23-10-1-2-19-14(20-10)21-3-5-22-6-4-21;1-16(2)11-8-9-13-12(15-11)14-10-6-4-3-5-7-10;1-13(2)9-3-4-11-10(12-9)14-5-7-15-8-6-14;1-3-2;;;;/h1-8H,(H,21,22,23);1-2,7H,3-6H2;3-9H,1-2H3,(H,13,14,15);3-4H,5-8H2,1-2H3;3H,1-2H3;4*1H4
InChIKeyJHPVCCAVVIZMPD-UHFFFAOYSA-N
XLogP12.28
TPSA189.09 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001196.31
LogP ≤ 512.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine;4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4-diamine;methane;N-methylmethanamine;N-phenyl-4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-amine;4-[4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-yl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

4-N-(3-chloro-2,4-difluorophenyl)-4-N-methyl-2-N-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 25015407
N,N-diethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112886592
[3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-4-fluorophenyl]methanol
CID 25015557
4-N-methyl-4-N-phenyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112902075
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenoxypyrimidin-2-amine
CID 172514967
4-(2-morpholin-4-yl-4-pyridinyl)-N-phenylpyrimidin-2-amine
CID 71458570
4-N-(2,3-dichlorophenyl)-2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 69090229
2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-(5-methyl-2-pyridinyl)pyrimidine-2,4-diamine
CID 42645951
4-methoxy-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 1077239
6,7-dimethoxy-2-morpholin-4-yl-N-phenylquinazolin-4-amine
CID 71738609
N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902400
N-[3-fluoro-4-[2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 164622414

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine;4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4-diamine;methane;N-methylmethanamine;N-phenyl-4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-amine;4-[4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-yl]morpholine?
The IUPAC name of N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine;4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4-diamine;methane;N-methylmethanamine;N-phenyl-4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-amine;4-[4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-yl]morpholine (CID 158919193) is N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine;4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4-diamine;methane;N-methylmethanamine;N-phenyl-4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-amine;4-[4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-yl]morpholine.
What is the SMILES notation for N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine;4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4-diamine;methane;N-methylmethanamine;N-phenyl-4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-amine;4-[4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-yl]morpholine?
The canonical SMILES for N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine;4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4-diamine;methane;N-methylmethanamine;N-phenyl-4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-amine;4-[4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-yl]morpholine is C.C.C.C.CN(C)c1ccnc(N2CCOCC2)n1.CN(C)c1ccnc(Nc2ccccc2)n1.CNC.Fc1cc(F)c(F)c(Oc2ccnc(N3CCOCC3)n2)c1F.Fc1cc(F)c(F)c(Oc2ccnc(Nc3ccccc3)n2)c1F.
What is the InChIKey of N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine;4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4-diamine;methane;N-methylmethanamine;N-phenyl-4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-amine;4-[4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-yl]morpholine?
The InChIKey is JHPVCCAVVIZMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4N3O.C14H11F4N3O2.C12H14N4.C10H16N4O.C2H7N.4CH4/c17-10-8-11(18)14(20)15(13(10)19)24-12-6-7-21-16(23-12)22-9-4-2-1-3-5-9;15-8-7-9(16)12(18)13(11(8)17)23-10-1-2-19-14(20-10)21-3-5-22-6-4-21;1-16(2)11-8-9-13-12(15-11)14-10-6-4-3-5-7-10;1-13(2)9-3-4-11-10(12-9)14-5-7-15-8-6-14;1-3-2;;;;/h1-8H,(H,21,22,23);1-2,7H,3-6H2;3-9H,1-2H3,(H,13,14,15);3-4H,5-8H2,1-2H3;3H,1-2H3;4*1H4.
What are the key properties of N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine;4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4-diamine;methane;N-methylmethanamine;N-phenyl-4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-amine;4-[4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-yl]morpholine?
N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine;4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4-diamine;methane;N-methylmethanamine;N-phenyl-4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-amine;4-[4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-yl]morpholine has a molecular weight of 1196.31 g/mol, XLogP of 12.28, 12 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine;4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4-diamine;methane;N-methylmethanamine;N-phenyl-4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-amine;4-[4-(2,3,5,6-tetrafluorophenoxy)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 158919193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).