6-chloro-2-cyclopropyl-N-(2,3-dimethylphenyl)-5-methylpyrimidin-4-amine

C16H18ClN3 — CID 80970384

IUPAC6-chloro-2-cyclopropyl-N-(2,3-dimethylphenyl)-5-methylpyrimidin-4-amine
SMILESCc1cccc(Nc2nc(C3CC3)nc(Cl)c2C)c1C
InChIInChI=1S/C16H18ClN3/c1-9-5-4-6-13(10(9)2)18-15-11(3)14(17)19-16(20-15)12-7-8-12/h4-6,12H,7-8H2,1-3H3,(H,18,19,20)
InChIKeyDEIZMOSSMDDKLU-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.68
Rot. Bonds3

About 6-chloro-2-cyclopropyl-N-(2,3-dimethylphenyl)-5-methylpyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(2,3-dimethylphenyl)-5-methylpyrimidin-4-amine (PubChem CID 80970384) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(2,3-dimethylphenyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(2,3-dimethylphenyl)-5-methylpyrimidin-4-amine
PubChem CID80970384
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name6-chloro-2-cyclopropyl-N-(2,3-dimethylphenyl)-5-methylpyrimidin-4-amine
SMILESCc1cccc(Nc2nc(C3CC3)nc(Cl)c2C)c1C
InChIInChI=1S/C16H18ClN3/c1-9-5-4-6-13(10(9)2)18-15-11(3)14(17)19-16(20-15)12-7-8-12/h4-6,12H,7-8H2,1-3H3,(H,18,19,20)
InChIKeyDEIZMOSSMDDKLU-UHFFFAOYSA-N
XLogP4.68
TPSA37.81 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 ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-cyclopropyl-N-(5-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 80970382
6-chloro-2-cyclopropyl-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 80974137
6-chloro-2-cyclopropyl-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80974347
6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80974160
2-cyclopropyl-N-(2,3-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969126
6-chloro-2-cyclopropyl-5-methyl-N-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 80973859
6-chloro-2-cyclopropyl-N-(4-ethylphenyl)-5-methylpyrimidin-4-amine
CID 80970768
N-(5-bromo-2-methoxyphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80979347
2-cyclopropyl-4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80956506
6-chloro-2-cyclopropyl-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine
CID 80977609
N-(3-bromo-5-methylphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 107576919
6-chloro-2-cyclopropyl-N-(4-ethoxyphenyl)-5-methylpyrimidin-4-amine
CID 80974062

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(2,3-dimethylphenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(2,3-dimethylphenyl)-5-methylpyrimidin-4-amine (CID 80970384) is 6-chloro-2-cyclopropyl-N-(2,3-dimethylphenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(2,3-dimethylphenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(2,3-dimethylphenyl)-5-methylpyrimidin-4-amine is Cc1cccc(Nc2nc(C3CC3)nc(Cl)c2C)c1C.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(2,3-dimethylphenyl)-5-methylpyrimidin-4-amine?
The InChIKey is DEIZMOSSMDDKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-9-5-4-6-13(10(9)2)18-15-11(3)14(17)19-16(20-15)12-7-8-12/h4-6,12H,7-8H2,1-3H3,(H,18,19,20).
What are the key properties of 6-chloro-2-cyclopropyl-N-(2,3-dimethylphenyl)-5-methylpyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(2,3-dimethylphenyl)-5-methylpyrimidin-4-amine has a molecular weight of 287.79 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-(2,3-dimethylphenyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80970384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).