4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine

C13H15ClN4 — CID 113221029

IUPAC4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC(C)c2cccc(Cl)c2)nc(N)n1
InChIInChI=1S/C13H15ClN4/c1-8-6-12(18-13(15)16-8)17-9(2)10-4-3-5-11(14)7-10/h3-7,9H,1-2H3,(H3,15,16,17,18)
InChIKeyFKMMNKIOIPYDDL-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.19
Rot. Bonds3

About 4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine

4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 113221029) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
PubChem CID113221029
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC(C)c2cccc(Cl)c2)nc(N)n1
InChIInChI=1S/C13H15ClN4/c1-8-6-12(18-13(15)16-8)17-9(2)10-4-3-5-11(14)7-10/h3-7,9H,1-2H3,(H3,15,16,17,18)
InChIKeyFKMMNKIOIPYDDL-UHFFFAOYSA-N
XLogP3.19
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine
CID 80646586
N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80896965
6-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112726063
2-tert-butyl-4-N-[1-(3-chlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80961780
4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80801638
4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80784552
6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
CID 112724390
4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80801904
4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine
CID 80769538
3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 55147569
N-[1-(3-chlorophenyl)ethyl]-1,4-dimethylimidazol-2-amine
CID 106566702
3-N-[(1R)-1-(3-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 146673450

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine (CID 113221029) is 4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine is Cc1cc(NC(C)c2cccc(Cl)c2)nc(N)n1.
What is the InChIKey of 4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is FKMMNKIOIPYDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-8-6-12(18-13(15)16-8)17-9(2)10-4-3-5-11(14)7-10/h3-7,9H,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 262.74 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 113221029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).