6-N-(3,5-dimethoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine

C14H18N4O2 — CID 122282022

IUPAC6-N-(3,5-dimethoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCOc1cc(Nc2cc(N(C)C)ncn2)cc(OC)c1
InChIInChI=1S/C14H18N4O2/c1-18(2)14-8-13(15-9-16-14)17-10-5-11(19-3)7-12(6-10)20-4/h5-9H,1-4H3,(H,15,16,17)
InChIKeyYJNFHVDCYDAPQZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.30
Rot. Bonds5

About 6-N-(3,5-dimethoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine

6-N-(3,5-dimethoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine (PubChem CID 122282022) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-N-(3,5-dimethoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3,5-dimethoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
PubChem CID122282022
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name6-N-(3,5-dimethoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCOc1cc(Nc2cc(N(C)C)ncn2)cc(OC)c1
InChIInChI=1S/C14H18N4O2/c1-18(2)14-8-13(15-9-16-14)17-10-5-11(19-3)7-12(6-10)20-4/h5-9H,1-4H3,(H,15,16,17)
InChIKeyYJNFHVDCYDAPQZ-UHFFFAOYSA-N
XLogP2.30
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-N-(3,5-dimethoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-[4-(difluoromethoxy)phenyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122282177
4-N,4-N-diethyl-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
CID 112863500
6-N-(3-fluorophenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281980
3-(3,5-dimethoxyphenyl)-1-methyl-1-[6-(4-piperazin-1-ylanilino)pyrimidin-4-yl]urea
CID 164788089
6-N-(4-methoxyphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861859
4-N-(3,5-dimethylphenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 112865267
4-N,4-N-dimethyl-6-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 122282065
4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 53261245
1-(3,5-dimethoxyphenyl)-3-[6-(3-fluoro-5-methylanilino)pyrimidin-4-yl]urea
CID 155554018
N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866239
2-N-(3,5-dimethoxyphenyl)-6-methoxypyridine-2,5-diamine
CID 43261435
N-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethoxy-4-methylbenzamide
CID 146130723

Frequently Asked Questions

What is the IUPAC name of 6-N-(3,5-dimethoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3,5-dimethoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine (CID 122282022) is 6-N-(3,5-dimethoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3,5-dimethoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3,5-dimethoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine is COc1cc(Nc2cc(N(C)C)ncn2)cc(OC)c1.
What is the InChIKey of 6-N-(3,5-dimethoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is YJNFHVDCYDAPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-18(2)14-8-13(15-9-16-14)17-10-5-11(19-3)7-12(6-10)20-4/h5-9H,1-4H3,(H,15,16,17).
What are the key properties of 6-N-(3,5-dimethoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine?
6-N-(3,5-dimethoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 274.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,5-dimethoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 122282022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).