5-chloro-4-N-methyl-2-phenylpyrimidine-4,6-diamine

C11H11ClN4 — CID 83870895

IUPAC5-chloro-4-N-methyl-2-phenylpyrimidine-4,6-diamine
SMILESCNc1nc(-c2ccccc2)nc(N)c1Cl
InChIInChI=1S/C11H11ClN4/c1-14-11-8(12)9(13)15-10(16-11)7-5-3-2-4-6-7/h2-6H,1H3,(H3,13,14,15,16)
InChIKeySAESSAIKGXPUOI-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.42
Rot. Bonds2

About 5-chloro-4-N-methyl-2-phenylpyrimidine-4,6-diamine

5-chloro-4-N-methyl-2-phenylpyrimidine-4,6-diamine (PubChem CID 83870895) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 5-chloro-4-N-methyl-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-methyl-2-phenylpyrimidine-4,6-diamine
PubChem CID83870895
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name5-chloro-4-N-methyl-2-phenylpyrimidine-4,6-diamine
SMILESCNc1nc(-c2ccccc2)nc(N)c1Cl
InChIInChI=1S/C11H11ClN4/c1-14-11-8(12)9(13)15-10(16-11)7-5-3-2-4-6-7/h2-6H,1H3,(H3,13,14,15,16)
InChIKeySAESSAIKGXPUOI-UHFFFAOYSA-N
XLogP2.42
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine
CID 12526552
7-(3-chlorophenyl)-N-methyl-2-phenylquinazolin-4-amine
CID 118477734
5-bromo-6-methyl-2-phenylpyrimidin-4-amine
CID 66304858
2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 71122482
2-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 123997974
5-iodo-6-methyl-2-phenylpyrimidin-4-amine
CID 12795372
2,5-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 66786947
1-[(5-amino-6-chloro-2-phenylpyrimidin-4-yl)amino]propan-2-ol
CID 11185047
4-amino-6-methyl-2-phenyl-8H-pteridin-7-one
CID 125495567
2-(4-chlorophenyl)-5-iodo-6-phenylpyrimidin-4-amine
CID 66294114
2-(4-fluorophenyl)-5-methyl-6-phenylpyrimidin-4-amine
CID 104846735
3-[4-[3-(methylamino)phenyl]-6-phenyl-1,3,5-triazin-2-yl]aniline
CID 143239836

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-methyl-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-methyl-2-phenylpyrimidine-4,6-diamine (CID 83870895) is 5-chloro-4-N-methyl-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-methyl-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-methyl-2-phenylpyrimidine-4,6-diamine is CNc1nc(-c2ccccc2)nc(N)c1Cl.
What is the InChIKey of 5-chloro-4-N-methyl-2-phenylpyrimidine-4,6-diamine?
The InChIKey is SAESSAIKGXPUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c1-14-11-8(12)9(13)15-10(16-11)7-5-3-2-4-6-7/h2-6H,1H3,(H3,13,14,15,16).
What are the key properties of 5-chloro-4-N-methyl-2-phenylpyrimidine-4,6-diamine?
5-chloro-4-N-methyl-2-phenylpyrimidine-4,6-diamine has a molecular weight of 234.69 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-methyl-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 83870895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).