4-N-(2,5-dimethoxyphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine

C14H18N4O2 — CID 80769342

IUPAC4-N-(2,5-dimethoxyphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2cc(OC)ccc2OC)c1C
InChIInChI=1S/C14H18N4O2/c1-9-13(15-2)16-8-17-14(9)18-11-7-10(19-3)5-6-12(11)20-4/h5-8H,1-4H3,(H2,15,16,17,18)
InChIKeyBWJHSJZYRMWKKP-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.59
Rot. Bonds5

About 4-N-(2,5-dimethoxyphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine

4-N-(2,5-dimethoxyphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80769342) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-N-(2,5-dimethoxyphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethoxyphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80769342
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-N-(2,5-dimethoxyphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2cc(OC)ccc2OC)c1C
InChIInChI=1S/C14H18N4O2/c1-9-13(15-2)16-8-17-14(9)18-11-7-10(19-3)5-6-12(11)20-4/h5-8H,1-4H3,(H2,15,16,17,18)
InChIKeyBWJHSJZYRMWKKP-UHFFFAOYSA-N
XLogP2.59
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,6-N-bis(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23494751
6-chloro-N-(2,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine
CID 63734399
N-(2,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 57422571
N-(2,5-dimethoxyphenyl)-7H-purin-6-amine
CID 756650
N-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 59722522
5-ethyl-4-N-(4-methoxy-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80824993
4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80825171
4-N-(2,5-dimethoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19142678
6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142724
4-N-(2,5-difluorophenyl)-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142786
2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine
CID 70166799

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethoxyphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,5-dimethoxyphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine (CID 80769342) is 4-N-(2,5-dimethoxyphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,5-dimethoxyphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,5-dimethoxyphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine is CNc1ncnc(Nc2cc(OC)ccc2OC)c1C.
What is the InChIKey of 4-N-(2,5-dimethoxyphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is BWJHSJZYRMWKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-13(15-2)16-8-17-14(9)18-11-7-10(19-3)5-6-12(11)20-4/h5-8H,1-4H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2,5-dimethoxyphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
4-N-(2,5-dimethoxyphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 274.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethoxyphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80769342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).