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

C11H11ClN4 — CID 71458913

IUPAC5-chloro-4-N-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccccc2)ncc1Cl
InChIInChI=1S/C11H11ClN4/c1-13-10-9(12)7-14-11(16-10)15-8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,14,15,16)
InChIKeyIJRGXRBCVBGGOP-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.92
Rot. Bonds3

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

5-chloro-4-N-methyl-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 71458913) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 5-chloro-4-N-methyl-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-methyl-2-N-phenylpyrimidine-2,4-diamine
PubChem CID71458913
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name5-chloro-4-N-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccccc2)ncc1Cl
InChIInChI=1S/C11H11ClN4/c1-13-10-9(12)7-14-11(16-10)15-8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,14,15,16)
InChIKeyIJRGXRBCVBGGOP-UHFFFAOYSA-N
XLogP2.92
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 155665811
5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 80768239
5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine
CID 166380400
5-N-methyl-2-N-phenylpyrimidine-2,4,5-triamine
CID 175235509
5-chloro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761316
5-chloro-2-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 80755325
5-chloro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 141336732
5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80769890
5-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-phenylpyrimidine-2,4-diamine
CID 156768854
carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium
CID 157300828
5-chloro-4-N-[3-(3-methoxyphenyl)propyl]-2-N-phenylpyrimidine-2,4-diamine
CID 173107816
N-[3-[(4-anilino-5-chloropyrimidin-2-yl)amino]phenyl]-2-methylbenzamide
CID 175186645

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-methyl-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-methyl-2-N-phenylpyrimidine-2,4-diamine (CID 71458913) is 5-chloro-4-N-methyl-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-methyl-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-methyl-2-N-phenylpyrimidine-2,4-diamine is CNc1nc(Nc2ccccc2)ncc1Cl.
What is the InChIKey of 5-chloro-4-N-methyl-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is IJRGXRBCVBGGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c1-13-10-9(12)7-14-11(16-10)15-8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,14,15,16).
What are the key properties of 5-chloro-4-N-methyl-2-N-phenylpyrimidine-2,4-diamine?
5-chloro-4-N-methyl-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 234.69 g/mol, XLogP of 2.92, 3 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-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 71458913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).