4-(3-chloro-2-methylphenyl)-6-[(2-methylcyclopropyl)methyl]pyrimidin-2-amine

C16H18ClN3 — CID 158930614

IUPAC4-(3-chloro-2-methylphenyl)-6-[(2-methylcyclopropyl)methyl]pyrimidin-2-amine
SMILESCc1c(Cl)cccc1-c1cc(CC2CC2C)nc(N)n1
InChIInChI=1S/C16H18ClN3/c1-9-6-11(9)7-12-8-15(20-16(18)19-12)13-4-3-5-14(17)10(13)2/h3-5,8-9,11H,6-7H2,1-2H3,(H2,18,19,20)
InChIKeyFMJYFGWKNAIVDS-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.89
Rot. Bonds3

About 4-(3-chloro-2-methylphenyl)-6-[(2-methylcyclopropyl)methyl]pyrimidin-2-amine

4-(3-chloro-2-methylphenyl)-6-[(2-methylcyclopropyl)methyl]pyrimidin-2-amine (PubChem CID 158930614) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-(3-chloro-2-methylphenyl)-6-[(2-methylcyclopropyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-chloro-2-methylphenyl)-6-[(2-methylcyclopropyl)methyl]pyrimidin-2-amine
PubChem CID158930614
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name4-(3-chloro-2-methylphenyl)-6-[(2-methylcyclopropyl)methyl]pyrimidin-2-amine
SMILESCc1c(Cl)cccc1-c1cc(CC2CC2C)nc(N)n1
InChIInChI=1S/C16H18ClN3/c1-9-6-11(9)7-12-8-15(20-16(18)19-12)13-4-3-5-14(17)10(13)2/h3-5,8-9,11H,6-7H2,1-2H3,(H2,18,19,20)
InChIKeyFMJYFGWKNAIVDS-UHFFFAOYSA-N
XLogP3.89
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3-chloro-2-methylphenyl)pyrimidin-2-amine
CID 90189205
4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine
CID 157119078
4-[[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]methyl]cyclohexane-1-carboxylic acid
CID 174851715
4-N-(3-aminopropyl)-6-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 118567875
4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-hydroxypropyl]benzenesulfonamide
CID 161008621
4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide
CID 157412886
6-(3-chloro-2-methylphenyl)-4-N-[2-(3-methyl-2,3-dihydro-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine
CID 118568224
4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyrimidin-2-amine
CID 158757005
4-N-but-3-enyl-6-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 118559559
4-(5-chloro-2-methylphenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine
CID 158483870
6-(3-chloro-2-methylphenyl)-4-N-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]pyrimidine-2,4-diamine
CID 118559455
4-(2,3-dichlorophenyl)-6-methylpyrimidin-2-amine
CID 39796773

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylphenyl)-6-[(2-methylcyclopropyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-(3-chloro-2-methylphenyl)-6-[(2-methylcyclopropyl)methyl]pyrimidin-2-amine (CID 158930614) is 4-(3-chloro-2-methylphenyl)-6-[(2-methylcyclopropyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-chloro-2-methylphenyl)-6-[(2-methylcyclopropyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(3-chloro-2-methylphenyl)-6-[(2-methylcyclopropyl)methyl]pyrimidin-2-amine is Cc1c(Cl)cccc1-c1cc(CC2CC2C)nc(N)n1.
What is the InChIKey of 4-(3-chloro-2-methylphenyl)-6-[(2-methylcyclopropyl)methyl]pyrimidin-2-amine?
The InChIKey is FMJYFGWKNAIVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-9-6-11(9)7-12-8-15(20-16(18)19-12)13-4-3-5-14(17)10(13)2/h3-5,8-9,11H,6-7H2,1-2H3,(H2,18,19,20).
What are the key properties of 4-(3-chloro-2-methylphenyl)-6-[(2-methylcyclopropyl)methyl]pyrimidin-2-amine?
4-(3-chloro-2-methylphenyl)-6-[(2-methylcyclopropyl)methyl]pyrimidin-2-amine has a molecular weight of 287.79 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylphenyl)-6-[(2-methylcyclopropyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 158930614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).