N-(1-butyl-5-methylpyrazol-4-yl)-6-chloro-2-cyclopropylpyrimidin-4-amine

C15H20ClN5 — CID 133421624

IUPACN-(1-butyl-5-methylpyrazol-4-yl)-6-chloro-2-cyclopropylpyrimidin-4-amine
SMILESCCCCn1ncc(Nc2cc(Cl)nc(C3CC3)n2)c1C
InChIInChI=1S/C15H20ClN5/c1-3-4-7-21-10(2)12(9-17-21)18-14-8-13(16)19-15(20-14)11-5-6-11/h8-9,11H,3-7H2,1-2H3,(H,18,19,20)
InChIKeyRQAMIJGHSQBIJB-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.06
Rot. Bonds6

About N-(1-butyl-5-methylpyrazol-4-yl)-6-chloro-2-cyclopropylpyrimidin-4-amine

N-(1-butyl-5-methylpyrazol-4-yl)-6-chloro-2-cyclopropylpyrimidin-4-amine (PubChem CID 133421624) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is N-(1-butyl-5-methylpyrazol-4-yl)-6-chloro-2-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-butyl-5-methylpyrazol-4-yl)-6-chloro-2-cyclopropylpyrimidin-4-amine
PubChem CID133421624
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC NameN-(1-butyl-5-methylpyrazol-4-yl)-6-chloro-2-cyclopropylpyrimidin-4-amine
SMILESCCCCn1ncc(Nc2cc(Cl)nc(C3CC3)n2)c1C
InChIInChI=1S/C15H20ClN5/c1-3-4-7-21-10(2)12(9-17-21)18-14-8-13(16)19-15(20-14)11-5-6-11/h8-9,11H,3-7H2,1-2H3,(H,18,19,20)
InChIKeyRQAMIJGHSQBIJB-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(5-chloro-2-methylphenyl)-2-cyclopropylpyrimidin-4-amine
CID 80948774
6-chloro-2-cyclopropyl-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine
CID 133419008
6-chloro-N-(2-chloro-4-methylphenyl)-2-cyclopropylpyrimidin-4-amine
CID 80948882
6-chloro-2-cyclopropyl-N-hexan-2-ylpyrimidin-4-amine
CID 80950895
N-(2-bromo-5-methylphenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 82767025
6-chloro-2-cyclopropyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine
CID 80951240
6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine
CID 80948003
N-(1-butyl-5-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-4-amine
CID 86786869
N-(5-bromo-2,4-difluorophenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 102854536
4-chloro-2-cyclopropyl-6-(1-propylpyrazol-4-yl)pyrimidine
CID 80952004
6-chloro-2-cyclopropyl-N-(2-propylcyclopropyl)pyrimidin-4-amine
CID 103880293
6-chloro-2-cyclopropyl-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrimidin-4-amine
CID 133459759

Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-5-methylpyrazol-4-yl)-6-chloro-2-cyclopropylpyrimidin-4-amine?
The IUPAC name of N-(1-butyl-5-methylpyrazol-4-yl)-6-chloro-2-cyclopropylpyrimidin-4-amine (CID 133421624) is N-(1-butyl-5-methylpyrazol-4-yl)-6-chloro-2-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for N-(1-butyl-5-methylpyrazol-4-yl)-6-chloro-2-cyclopropylpyrimidin-4-amine?
The canonical SMILES for N-(1-butyl-5-methylpyrazol-4-yl)-6-chloro-2-cyclopropylpyrimidin-4-amine is CCCCn1ncc(Nc2cc(Cl)nc(C3CC3)n2)c1C.
What is the InChIKey of N-(1-butyl-5-methylpyrazol-4-yl)-6-chloro-2-cyclopropylpyrimidin-4-amine?
The InChIKey is RQAMIJGHSQBIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-3-4-7-21-10(2)12(9-17-21)18-14-8-13(16)19-15(20-14)11-5-6-11/h8-9,11H,3-7H2,1-2H3,(H,18,19,20).
What are the key properties of N-(1-butyl-5-methylpyrazol-4-yl)-6-chloro-2-cyclopropylpyrimidin-4-amine?
N-(1-butyl-5-methylpyrazol-4-yl)-6-chloro-2-cyclopropylpyrimidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-5-methylpyrazol-4-yl)-6-chloro-2-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 133421624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).