4-N-[(3-chlorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine

C13H15ClN4 — CID 64829885

IUPAC4-N-[(3-chlorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NCc2cccc(Cl)c2)n1
InChIInChI=1S/C13H15ClN4/c1-18(2)13-15-7-6-12(17-13)16-9-10-4-3-5-11(14)8-10/h3-8H,9H2,1-2H3,(H,15,16,17)
InChIKeyBRLRRDACFRWHQU-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.81
Rot. Bonds4

About 4-N-[(3-chlorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine

4-N-[(3-chlorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 64829885) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-N-[(3-chlorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3-chlorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID64829885
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name4-N-[(3-chlorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NCc2cccc(Cl)c2)n1
InChIInChI=1S/C13H15ClN4/c1-18(2)13-15-7-6-12(17-13)16-9-10-4-3-5-11(14)8-10/h3-8H,9H2,1-2H3,(H,15,16,17)
InChIKeyBRLRRDACFRWHQU-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

2-N,2-N-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 64829676
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890023
2-N-butyl-4-N-[2-(3-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 112900678
4-N-[3-(3-chlorophenyl)propyl]-2-N,2-N-diethylpyrimidine-2,4-diamine
CID 166340795
2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890009
3-N-[(3-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678620
4-N-[2-(3-chlorophenyl)ethyl]-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890184
2-N,2-N-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 64829086
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891919
3-N-[(3-chlorophenyl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678976
2-N,2-N-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
CID 79492291
2-N-[(3-chlorophenyl)methyl]pyridine-2,5-diamine
CID 62538240

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-chlorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3-chlorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 64829885) is 4-N-[(3-chlorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3-chlorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3-chlorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine is CN(C)c1nccc(NCc2cccc(Cl)c2)n1.
What is the InChIKey of 4-N-[(3-chlorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is BRLRRDACFRWHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-18(2)13-15-7-6-12(17-13)16-9-10-4-3-5-11(14)8-10/h3-8H,9H2,1-2H3,(H,15,16,17).
What are the key properties of 4-N-[(3-chlorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
4-N-[(3-chlorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-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-[(3-chlorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 64829885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).