6-N-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine

C13H17N5O — CID 22543827

IUPAC6-N-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
SMILESCOc1cccc(Nc2ncnc(N(C)C)c2N)c1
InChIInChI=1S/C13H17N5O/c1-18(2)13-11(14)12(15-8-16-13)17-9-5-4-6-10(7-9)19-3/h4-8H,14H2,1-3H3,(H,15,16,17)
InChIKeyCUZTXQCFHASAEB-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.88
Rot. Bonds4

About 6-N-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine

6-N-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine (PubChem CID 22543827) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-N-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
PubChem CID22543827
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name6-N-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
SMILESCOc1cccc(Nc2ncnc(N(C)C)c2N)c1
InChIInChI=1S/C13H17N5O/c1-18(2)13-11(14)12(15-8-16-13)17-9-5-4-6-10(7-9)19-3/h4-8H,14H2,1-3H3,(H,15,16,17)
InChIKeyCUZTXQCFHASAEB-UHFFFAOYSA-N
XLogP1.88
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
CID 11694491
methyl 2-[[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]-methylamino]benzoate
CID 22543987
4-N-(2,5-difluorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543980
6-(2-tert-butylhydrazinyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
CID 22543956
6-N-(3-methoxyphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 22543892
6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543912
methyl 4-[[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]benzoate
CID 22543914
4-N-(5-chloro-2-pyridinyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543893
6-N-[(4-chlorophenyl)methyl]-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543926
N'-[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 22543946
4-N-(3-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22543846
7-methoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 21003078

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine (CID 22543827) is 6-N-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine is COc1cccc(Nc2ncnc(N(C)C)c2N)c1.
What is the InChIKey of 6-N-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine?
The InChIKey is CUZTXQCFHASAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-18(2)13-11(14)12(15-8-16-13)17-9-5-4-6-10(7-9)19-3/h4-8H,14H2,1-3H3,(H,15,16,17).
What are the key properties of 6-N-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine?
6-N-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine has a molecular weight of 259.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 22543827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).