6-chloro-2-cyclopropyl-N-(3-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine

C16H18ClN3O — CID 80972239

IUPAC6-chloro-2-cyclopropyl-N-(3-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
SMILESCOc1cccc(N(C)c2nc(C3CC3)nc(Cl)c2C)c1
InChIInChI=1S/C16H18ClN3O/c1-10-14(17)18-15(11-7-8-11)19-16(10)20(2)12-5-4-6-13(9-12)21-3/h4-6,9,11H,7-8H2,1-3H3
InChIKeyNMXCYPIGNGSDGB-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.09
Rot. Bonds4

About 6-chloro-2-cyclopropyl-N-(3-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(3-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine (PubChem CID 80972239) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(3-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(3-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
PubChem CID80972239
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name6-chloro-2-cyclopropyl-N-(3-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
SMILESCOc1cccc(N(C)c2nc(C3CC3)nc(Cl)c2C)c1
InChIInChI=1S/C16H18ClN3O/c1-10-14(17)18-15(11-7-8-11)19-16(10)20(2)12-5-4-6-13(9-12)21-3/h4-6,9,11H,7-8H2,1-3H3
InChIKeyNMXCYPIGNGSDGB-UHFFFAOYSA-N
XLogP4.09
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(3-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(3-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine (CID 80972239) is 6-chloro-2-cyclopropyl-N-(3-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(3-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(3-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine is COc1cccc(N(C)c2nc(C3CC3)nc(Cl)c2C)c1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(3-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine?
The InChIKey is NMXCYPIGNGSDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-10-14(17)18-15(11-7-8-11)19-16(10)20(2)12-5-4-6-13(9-12)21-3/h4-6,9,11H,7-8H2,1-3H3.
What are the key properties of 6-chloro-2-cyclopropyl-N-(3-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(3-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine has a molecular weight of 303.79 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-(3-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80972239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).