6-N-(2-methoxy-5-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine

C16H23N5O2 — CID 22541991

IUPAC6-N-(2-methoxy-5-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
SMILESCOCC(C)Nc1ncnc(Nc2cc(C)ccc2OC)c1N
InChIInChI=1S/C16H23N5O2/c1-10-5-6-13(23-4)12(7-10)21-16-14(17)15(18-9-19-16)20-11(2)8-22-3/h5-7,9,11H,8,17H2,1-4H3,(H2,18,19,20,21)
InChIKeySBCPZIMHSRZDEW-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.57
Rot. Bonds7

About 6-N-(2-methoxy-5-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine

6-N-(2-methoxy-5-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine (PubChem CID 22541991) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 6-N-(2-methoxy-5-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2-methoxy-5-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
PubChem CID22541991
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name6-N-(2-methoxy-5-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
SMILESCOCC(C)Nc1ncnc(Nc2cc(C)ccc2OC)c1N
InChIInChI=1S/C16H23N5O2/c1-10-5-6-13(23-4)12(7-10)21-16-14(17)15(18-9-19-16)20-11(2)8-22-3/h5-7,9,11H,8,17H2,1-4H3,(H2,18,19,20,21)
InChIKeySBCPZIMHSRZDEW-UHFFFAOYSA-N
XLogP2.57
TPSA94.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 19154117
6-N-(5-chloro-2-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 22547340
4-N-butan-2-yl-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142796
6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541866
6-N-(2,4-dichlorophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541920
2-[[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile
CID 22541854
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541918
4-N-(2-methoxy-5-methylphenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541980
methyl 4-[[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 22541916
6-(4-ethylphenoxy)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
CID 22541998
4-N-(1-methoxypropan-2-yl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145512
6-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541790

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methoxy-5-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2-methoxy-5-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine (CID 22541991) is 6-N-(2-methoxy-5-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2-methoxy-5-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2-methoxy-5-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine is COCC(C)Nc1ncnc(Nc2cc(C)ccc2OC)c1N.
What is the InChIKey of 6-N-(2-methoxy-5-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine?
The InChIKey is SBCPZIMHSRZDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-10-5-6-13(23-4)12(7-10)21-16-14(17)15(18-9-19-16)20-11(2)8-22-3/h5-7,9,11H,8,17H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 6-N-(2-methoxy-5-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine?
6-N-(2-methoxy-5-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine has a molecular weight of 317.39 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methoxy-5-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22541991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).