6-chloro-N-(3,4-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine

C16H20ClN3 — CID 80973603

IUPAC6-chloro-N-(3,4-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C16H20ClN3/c1-5-6-14-19-15(17)12(4)16(20-14)18-13-8-7-10(2)11(3)9-13/h7-9H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyQSPCSSMMCMANCI-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.75
Rot. Bonds4

About 6-chloro-N-(3,4-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine

6-chloro-N-(3,4-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80973603) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 6-chloro-N-(3,4-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3,4-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80973603
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name6-chloro-N-(3,4-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C16H20ClN3/c1-5-6-14-19-15(17)12(4)16(20-14)18-13-8-7-10(2)11(3)9-13/h7-9H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyQSPCSSMMCMANCI-UHFFFAOYSA-N
XLogP4.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(3,5-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80970481
6-chloro-N-(3-methoxyphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80971215
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]benzonitrile
CID 80973323
N-(3,4-dichlorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81007312
6-chloro-2-ethyl-5-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 80970680
6-chloro-N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80974136
6-chloro-N-(2-iodophenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80973608
4-N-(3-chloro-4-methoxyphenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80976999
6-chloro-N-(2,5-dimethylphenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80974443
6-chloro-2-ethyl-N-(4-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 80974052
4-N-(5-chloro-2-methylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80976793
N-(1-benzothiophen-5-yl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
CID 80977515

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,4-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3,4-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine (CID 80973603) is 6-chloro-N-(3,4-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3,4-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3,4-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(Nc2ccc(C)c(C)c2)n1.
What is the InChIKey of 6-chloro-N-(3,4-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is QSPCSSMMCMANCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-5-6-14-19-15(17)12(4)16(20-14)18-13-8-7-10(2)11(3)9-13/h7-9H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of 6-chloro-N-(3,4-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine?
6-chloro-N-(3,4-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 289.81 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,4-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80973603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).