2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine

C12H13ClN4 — CID 71945279

IUPAC2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(N)nc(NCc2ccccc2Cl)n1
InChIInChI=1S/C12H13ClN4/c1-8-6-11(14)17-12(16-8)15-7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3,(H3,14,15,16,17)
InChIKeyIXSMDCJKCVSRAV-UHFFFAOYSA-N
MW248.72 g/mol
LogP2.63
Rot. Bonds3

About 2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine

2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 71945279) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
PubChem CID71945279
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(N)nc(NCc2ccccc2Cl)n1
InChIInChI=1S/C12H13ClN4/c1-8-6-11(14)17-12(16-8)15-7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3,(H3,14,15,16,17)
InChIKeyIXSMDCJKCVSRAV-UHFFFAOYSA-N
XLogP2.63
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(2-chlorophenyl)methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80786647
4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112915465
2-N-[(2-chlorophenyl)methyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906838
2-N-(2-chlorophenyl)-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917807
2-N-[(2-chlorophenyl)methyl]-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112917858
2-N-[(2-chlorophenyl)methyl]-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917471
6-chloro-2-N-[(2-chlorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80786435
4-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methylpyrimidin-2-amine
CID 103291463
4-N-[(2-chlorophenyl)methyl]-2-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
CID 112907552
4-N-[(2-chlorophenyl)methyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112917792
2-N-[(2-chlorophenyl)methyl]-6-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112917931
2-[(2-chlorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109328844

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine (CID 71945279) is 2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine is Cc1cc(N)nc(NCc2ccccc2Cl)n1.
What is the InChIKey of 2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is IXSMDCJKCVSRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c1-8-6-11(14)17-12(16-8)15-7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3,(H3,14,15,16,17).
What are the key properties of 2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 248.72 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 71945279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).