6-N-(2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine

C20H23N5O2 — CID 19142840

IUPAC6-N-(2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(Nc2ncnc(NC(C)c3ccccc3)c2N)c(OC)c1
InChIInChI=1S/C20H23N5O2/c1-13(14-7-5-4-6-8-14)24-19-18(21)20(23-12-22-19)25-16-10-9-15(26-2)11-17(16)27-3/h4-13H,21H2,1-3H3,(H2,22,23,24,25)
InChIKeyOQUZQRRMDBGYGK-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.99
Rot. Bonds7

About 6-N-(2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine

6-N-(2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine (PubChem CID 19142840) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 6-N-(2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
PubChem CID19142840
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name6-N-(2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(Nc2ncnc(NC(C)c3ccccc3)c2N)c(OC)c1
InChIInChI=1S/C20H23N5O2/c1-13(14-7-5-4-6-8-14)24-19-18(21)20(23-12-22-19)25-16-10-9-15(26-2)11-17(16)27-3/h4-13H,21H2,1-3H3,(H2,22,23,24,25)
InChIKeyOQUZQRRMDBGYGK-UHFFFAOYSA-N
XLogP3.99
TPSA94.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-(5-chloro-2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19145756
4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
2,4-dimethoxy-N-(1-phenylethyl)aniline
CID 11586940
6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19142831
6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142849
N'-[5-amino-6-(2,4-dimethoxyanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19142907
4-N-benzhydryl-6-N-(2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23494974
4-N-butan-2-yl-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142796
6-N-(2,5-difluorophenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19145768
6-N-[(2-chlorophenyl)methyl]-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142949
6-N-(2,3-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19143141
6-N-(5-chloro-2-methylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 22547233

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine (CID 19142840) is 6-N-(2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine is COc1ccc(Nc2ncnc(NC(C)c3ccccc3)c2N)c(OC)c1.
What is the InChIKey of 6-N-(2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine?
The InChIKey is OQUZQRRMDBGYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13(14-7-5-4-6-8-14)24-19-18(21)20(23-12-22-19)25-16-10-9-15(26-2)11-17(16)27-3/h4-13H,21H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 6-N-(2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine?
6-N-(2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine has a molecular weight of 365.44 g/mol, XLogP of 3.99, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19142840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).