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

C13H15ClN4 — CID 113221848

IUPAC4-N-[(4-chlorophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)Cc2ccc(Cl)cc2)nc(N)n1
InChIInChI=1S/C13H15ClN4/c1-9-7-12(17-13(15)16-9)18(2)8-10-3-5-11(14)6-4-10/h3-7H,8H2,1-2H3,(H2,15,16,17)
InChIKeyXBOOFBLVOMFAAS-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.66
Rot. Bonds3

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

4-N-[(4-chlorophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 113221848) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-N-[(4-chlorophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-chlorophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID113221848
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name4-N-[(4-chlorophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)Cc2ccc(Cl)cc2)nc(N)n1
InChIInChI=1S/C13H15ClN4/c1-9-7-12(17-13(15)16-9)18(2)8-10-3-5-11(14)6-4-10/h3-7H,8H2,1-2H3,(H2,15,16,17)
InChIKeyXBOOFBLVOMFAAS-UHFFFAOYSA-N
XLogP2.66
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-bromophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112726058
N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80896376
6-chloro-4-N-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 31537685
4-N-[(4-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564315
4-N-[(4-chlorophenyl)methyl]-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80794822
4-N-ethyl-4-N,6-dimethylpyrimidine-2,4-diamine
CID 80776362
N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine
CID 62477780
6-chloro-4-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 31537715
4-N-benzyl-2-N-(4-chlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916973
6-chloro-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80793890
4-[(4-chlorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbothioamide
CID 81060299
N-[(4-chlorophenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
CID 133488301

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-chlorophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-chlorophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine (CID 113221848) is 4-N-[(4-chlorophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-chlorophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-chlorophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine is Cc1cc(N(C)Cc2ccc(Cl)cc2)nc(N)n1.
What is the InChIKey of 4-N-[(4-chlorophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is XBOOFBLVOMFAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-9-7-12(17-13(15)16-9)18(2)8-10-3-5-11(14)6-4-10/h3-7H,8H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-N-[(4-chlorophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
4-N-[(4-chlorophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 262.74 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-chlorophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 113221848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).