4-N-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine

C13H16N4O — CID 80824739

IUPAC4-N-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(Nc2ccc(OC)cc2C)n1
InChIInChI=1S/C13H16N4O/c1-9-8-10(18-3)4-5-11(9)16-12-6-7-15-13(14-2)17-12/h4-8H,1-3H3,(H2,14,15,16,17)
InChIKeyIBMCIABBIPJLCT-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.58
Rot. Bonds4

About 4-N-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine

4-N-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80824739) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-N-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID80824739
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-N-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(Nc2ccc(OC)cc2C)n1
InChIInChI=1S/C13H16N4O/c1-9-8-10(18-3)4-5-11(9)16-12-6-7-15-13(14-2)17-12/h4-8H,1-3H3,(H2,14,15,16,17)
InChIKeyIBMCIABBIPJLCT-UHFFFAOYSA-N
XLogP2.58
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80919406
4-N-(2,5-dimethoxyphenyl)-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902472
4-N-(4-methoxy-2-methylphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80824828
4-N-(2,4-dimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112903212
4-N-(4-methoxy-2-methylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80804494
4-N-(2,4-dimethoxyphenyl)-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112905061
4-N-(2-chloro-4-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80755520
4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80762283
4-N-(2,4-dibromo-5-methoxyphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 103417160
4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892600
2-N-(2,4-dimethylphenyl)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892431
4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 112904018

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine (CID 80824739) is 4-N-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine is CNc1nccc(Nc2ccc(OC)cc2C)n1.
What is the InChIKey of 4-N-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is IBMCIABBIPJLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-8-10(18-3)4-5-11(9)16-12-6-7-15-13(14-2)17-12/h4-8H,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-N-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine?
4-N-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 244.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80824739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).