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

C13H15ClN4 — CID 80794976

IUPAC4-N-[(2-chlorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)Cc2ccccc2Cl)ncn1
InChIInChI=1S/C13H15ClN4/c1-15-12-7-13(17-9-16-12)18(2)8-10-5-3-4-6-11(10)14/h3-7,9H,8H2,1-2H3,(H,15,16,17)
InChIKeyMNPICVAUZFKRSH-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.81
Rot. Bonds4

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

4-N-[(2-chlorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine (PubChem CID 80794976) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-N-[(2-chlorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2-chlorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
PubChem CID80794976
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name4-N-[(2-chlorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)Cc2ccccc2Cl)ncn1
InChIInChI=1S/C13H15ClN4/c1-15-12-7-13(17-9-16-12)18(2)8-10-5-3-4-6-11(10)14/h3-7,9H,8H2,1-2H3,(H,15,16,17)
InChIKeyMNPICVAUZFKRSH-UHFFFAOYSA-N
XLogP2.81
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80793977
4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 78929716
4-N-[(2,4-dimethylphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265529
4-N,6-N-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 115265586
4-N-[(2,5-difluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265534
5-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926249
N-[(2-chlorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 62288918
N-[(2-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine
CID 107379915
4-(aminomethyl)-5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 114926248
4-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80898733
4-N-[(2-chlorophenyl)methyl]-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 80794819
[2-[(2-chlorophenyl)methyl-methylamino]-4-pyridinyl]methanol
CID 61417390

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-chlorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2-chlorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine (CID 80794976) is 4-N-[(2-chlorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2-chlorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2-chlorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine is CNc1cc(N(C)Cc2ccccc2Cl)ncn1.
What is the InChIKey of 4-N-[(2-chlorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is MNPICVAUZFKRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-15-12-7-13(17-9-16-12)18(2)8-10-5-3-4-6-11(10)14/h3-7,9H,8H2,1-2H3,(H,15,16,17).
What are the key properties of 4-N-[(2-chlorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
4-N-[(2-chlorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 262.74 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-chlorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80794976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).