2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine

C16H21ClN4 — CID 112906929

IUPAC2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(C)nc(Nc2c(C)cc(C)cc2Cl)n1
InChIInChI=1S/C16H21ClN4/c1-5-6-18-14-9-12(4)19-16(20-14)21-15-11(3)7-10(2)8-13(15)17/h7-9H,5-6H2,1-4H3,(H2,18,19,20,21)
InChIKeyJDDPSGUCRWDVSH-UHFFFAOYSA-N
MW304.83 g/mol
LogP4.62
Rot. Bonds5

About 2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine

2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine (PubChem CID 112906929) has the molecular formula C16H21ClN4 and a molecular weight of 304.83 g/mol. Its IUPAC name is 2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine
PubChem CID112906929
Molecular FormulaC16H21ClN4
Molecular Weight304.83 g/mol
Exact Mass304.15
IUPAC Name2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(C)nc(Nc2c(C)cc(C)cc2Cl)n1
InChIInChI=1S/C16H21ClN4/c1-5-6-18-14-9-12(4)19-16(20-14)21-15-11(3)7-10(2)8-13(15)17/h7-9H,5-6H2,1-4H3,(H2,18,19,20,21)
InChIKeyJDDPSGUCRWDVSH-UHFFFAOYSA-N
XLogP4.62
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.83
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908583
4-N-(2-methoxyethyl)-6-methyl-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112911416
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-(2-chloro-4,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918735
2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906911
4-N-(2-chloro-4,6-dimethylphenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918617
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80846976
2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)pyrimidine-2,4-diamine
CID 112883085
2-N-[(2-chlorophenyl)methyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906838
4-N-(2-chloro-4,6-difluorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 83075606
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906981
3-N-(2-chloro-4,6-dimethylphenyl)-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952866
4-N-(2-chloro-4,6-dimethylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930220

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine (CID 112906929) is 2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine is CCCNc1cc(C)nc(Nc2c(C)cc(C)cc2Cl)n1.
What is the InChIKey of 2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is JDDPSGUCRWDVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-5-6-18-14-9-12(4)19-16(20-14)21-15-11(3)7-10(2)8-13(15)17/h7-9H,5-6H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine?
2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 304.83 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 112906929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).