6-chloro-2-cyclopropyl-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrimidin-4-amine

C15H20ClN5 — CID 133459759

IUPAC6-chloro-2-cyclopropyl-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrimidin-4-amine
SMILESCC(C)CCn1ccc(Nc2cc(Cl)nc(C3CC3)n2)n1
InChIInChI=1S/C15H20ClN5/c1-10(2)5-7-21-8-6-13(20-21)18-14-9-12(16)17-15(19-14)11-3-4-11/h6,8-11H,3-5,7H2,1-2H3,(H,17,18,19,20)
InChIKeyVPUFIQDLBPCJNC-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.99
Rot. Bonds6

About 6-chloro-2-cyclopropyl-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrimidin-4-amine (PubChem CID 133459759) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrimidin-4-amine
PubChem CID133459759
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name6-chloro-2-cyclopropyl-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrimidin-4-amine
SMILESCC(C)CCn1ccc(Nc2cc(Cl)nc(C3CC3)n2)n1
InChIInChI=1S/C15H20ClN5/c1-10(2)5-7-21-8-6-13(20-21)18-14-9-12(16)17-15(19-14)11-3-4-11/h6,8-11H,3-5,7H2,1-2H3,(H,17,18,19,20)
InChIKeyVPUFIQDLBPCJNC-UHFFFAOYSA-N
XLogP3.99
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-cyclopropyl-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrimidin-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-(1-methylpyrazol-3-yl)pyrimidin-4-amine
CID 80951240
6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80948779
1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine
CID 115921806
N-(3-methylbutan-2-yl)-1-(3-methylbutyl)pyrazol-3-amine
CID 115921805
6-chloro-N-(5-chloro-2-methylphenyl)-2-cyclopropylpyrimidin-4-amine
CID 80948774
6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine
CID 80950847
6-chloro-2-cyclopropyl-N-hexan-2-ylpyrimidin-4-amine
CID 80950895
6-chloro-2-cyclopropyl-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80953581
6-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-5-nitropyridin-2-amine
CID 133459767
6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine
CID 80948003
6-chloro-2-cyclopropyl-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine
CID 133419008
6-chloro-2-cyclopropyl-N-(2,2-dicyclopropylethyl)pyrimidin-4-amine
CID 80951077

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrimidin-4-amine (CID 133459759) is 6-chloro-2-cyclopropyl-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrimidin-4-amine is CC(C)CCn1ccc(Nc2cc(Cl)nc(C3CC3)n2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrimidin-4-amine?
The InChIKey is VPUFIQDLBPCJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-10(2)5-7-21-8-6-13(20-21)18-14-9-12(16)17-15(19-14)11-3-4-11/h6,8-11H,3-5,7H2,1-2H3,(H,17,18,19,20).
What are the key properties of 6-chloro-2-cyclopropyl-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrimidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 133459759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).