6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine

C16H18ClN3 — CID 80948779

IUPAC6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCC(C)c1ccc(Nc2cc(Cl)nc(C3CC3)n2)cc1
InChIInChI=1S/C16H18ClN3/c1-10(2)11-5-7-13(8-6-11)18-15-9-14(17)19-16(20-15)12-3-4-12/h5-10,12H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyXCVYJHBGUBPVGQ-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.87
Rot. Bonds4

About 6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine (PubChem CID 80948779) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
PubChem CID80948779
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCC(C)c1ccc(Nc2cc(Cl)nc(C3CC3)n2)cc1
InChIInChI=1S/C16H18ClN3/c1-10(2)11-5-7-13(8-6-11)18-15-9-14(17)19-16(20-15)12-3-4-12/h5-10,12H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyXCVYJHBGUBPVGQ-UHFFFAOYSA-N
XLogP4.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine (CID 80948779) is 6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine is CC(C)c1ccc(Nc2cc(Cl)nc(C3CC3)n2)cc1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The InChIKey is XCVYJHBGUBPVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-10(2)11-5-7-13(8-6-11)18-15-9-14(17)19-16(20-15)12-3-4-12/h5-10,12H,3-4H2,1-2H3,(H,18,19,20).
What are the key properties of 6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine has a molecular weight of 287.79 g/mol, XLogP of 4.87, 4 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-(4-propan-2-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80948779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).