2-N-methyl-4-N-phenylpyrimidine-2,4-diamine

C11H12N4 — CID 70186991

IUPAC2-N-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCNc1nccc(Nc2ccccc2)n1
InChIInChI=1S/C11H12N4/c1-12-11-13-8-7-10(15-11)14-9-5-3-2-4-6-9/h2-8H,1H3,(H2,12,13,14,15)
InChIKeyIUAIFJHCTFVMIX-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.26
Rot. Bonds3

About 2-N-methyl-4-N-phenylpyrimidine-2,4-diamine

2-N-methyl-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 70186991) has the molecular formula C11H12N4 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-N-methyl-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-phenylpyrimidine-2,4-diamine
PubChem CID70186991
Molecular FormulaC11H12N4
Molecular Weight200.24 g/mol
Exact Mass200.11
IUPAC Name2-N-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCNc1nccc(Nc2ccccc2)n1
InChIInChI=1S/C11H12N4/c1-12-11-13-8-7-10(15-11)14-9-5-3-2-4-6-9/h2-8H,1H3,(H2,12,13,14,15)
InChIKeyIUAIFJHCTFVMIX-UHFFFAOYSA-N
XLogP2.26
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3,5-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761660
2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine
CID 80780741
ethane;2-methyl-N-phenylpyrimidin-4-amine
CID 90727503
4-N-(4-bromo-3,5-dimethylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107580704
2-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 80769352
4-hydrazinyl-N-phenylpyrimidin-2-amine
CID 94672732
4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112901770
4-N-(4-chloro-3-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80802835
4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 104782032
2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 80777641
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112899527
2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890568

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-phenylpyrimidine-2,4-diamine (CID 70186991) is 2-N-methyl-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-phenylpyrimidine-2,4-diamine is CNc1nccc(Nc2ccccc2)n1.
What is the InChIKey of 2-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is IUAIFJHCTFVMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-12-11-13-8-7-10(15-11)14-9-5-3-2-4-6-9/h2-8H,1H3,(H2,12,13,14,15).
What are the key properties of 2-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
2-N-methyl-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 200.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 70186991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).