6-chloro-2-cyclopropyl-N-hexan-2-ylpyrimidin-4-amine

C13H20ClN3 — CID 80950895

IUPAC6-chloro-2-cyclopropyl-N-hexan-2-ylpyrimidin-4-amine
SMILESCCCCC(C)Nc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C13H20ClN3/c1-3-4-5-9(2)15-12-8-11(14)16-13(17-12)10-6-7-10/h8-10H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyFZWHLHPDFCCGMV-UHFFFAOYSA-N
MW253.78 g/mol
LogP4.00
Rot. Bonds6

About 6-chloro-2-cyclopropyl-N-hexan-2-ylpyrimidin-4-amine

6-chloro-2-cyclopropyl-N-hexan-2-ylpyrimidin-4-amine (PubChem CID 80950895) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-hexan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-hexan-2-ylpyrimidin-4-amine
PubChem CID80950895
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name6-chloro-2-cyclopropyl-N-hexan-2-ylpyrimidin-4-amine
SMILESCCCCC(C)Nc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C13H20ClN3/c1-3-4-5-9(2)15-12-8-11(14)16-13(17-12)10-6-7-10/h8-10H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyFZWHLHPDFCCGMV-UHFFFAOYSA-N
XLogP4.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2-cyclopropyl-N-hexan-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine
CID 80948003
6-chloro-4-N-octan-2-ylpyrimidine-2,4-diamine
CID 78971534
6-chloro-N-heptan-2-yl-2-propylpyrimidin-4-amine
CID 80940743
6-chloro-2-cyclopropyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine
CID 133421183
6-chloro-2-cyclopropyl-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80953581
6-chloro-2-cyclopropyl-N-(1-phenylpropyl)pyrimidin-4-amine
CID 80950968
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-3-methylpentanamide
CID 133420673
N-[(3S)-3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 167785596
6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine
CID 80950847
6-chloro-2-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
CID 80953868
4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine
CID 129372160
6-chloro-2-cyclopropyl-N-methyl-N-pentan-2-ylpyrimidin-4-amine
CID 80953921

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-hexan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-hexan-2-ylpyrimidin-4-amine (CID 80950895) is 6-chloro-2-cyclopropyl-N-hexan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-hexan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-hexan-2-ylpyrimidin-4-amine is CCCCC(C)Nc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-hexan-2-ylpyrimidin-4-amine?
The InChIKey is FZWHLHPDFCCGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-3-4-5-9(2)15-12-8-11(14)16-13(17-12)10-6-7-10/h8-10H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-2-cyclopropyl-N-hexan-2-ylpyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-hexan-2-ylpyrimidin-4-amine has a molecular weight of 253.78 g/mol, XLogP of 4.00, 6 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-hexan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80950895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).