6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine

C14H18ClN5 — CID 80988650

IUPAC6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(-n2nc(C)c(Cl)c2C)c1C
InChIInChI=1S/C14H18ClN5/c1-7-12(16-4)17-13(10-5-6-10)18-14(7)20-9(3)11(15)8(2)19-20/h10H,5-6H2,1-4H3,(H,16,17,18)
InChIKeyWNDQNJUEMXPASO-UHFFFAOYSA-N
MW291.79 g/mol
LogP3.16
Rot. Bonds3

About 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine

6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 80988650) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
PubChem CID80988650
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(-n2nc(C)c(Cl)c2C)c1C
InChIInChI=1S/C14H18ClN5/c1-7-12(16-4)17-13(10-5-6-10)18-14(7)20-9(3)11(15)8(2)19-20/h10H,5-6H2,1-4H3,(H,16,17,18)
InChIKeyWNDQNJUEMXPASO-UHFFFAOYSA-N
XLogP3.16
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine with MolForge

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Related Compounds

2-cyclopropyl-6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine
CID 80989377
2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine
CID 80984983
acetaldehyde;6-(azepan-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 142817671
1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114683985
6-(4-benzylpiperazin-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 113259067
1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80987629
2-cyclopropyl-6-(2-ethylimidazol-1-yl)-N,5-dimethylpyrimidin-4-amine
CID 80992904
2-cyclopropyl-6-(3-methoxypiperidin-1-yl)-N,5-dimethylpyrimidin-4-amine
CID 102971626
2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80992622
2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 102807808
2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-N,5-dimethylpyrimidin-4-amine
CID 80983840
2-cyclopropyl-6-(3-ethylmorpholin-4-yl)-N,5-dimethylpyrimidin-4-amine
CID 80993593

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine (CID 80988650) is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine is CNc1nc(C2CC2)nc(-n2nc(C)c(Cl)c2C)c1C.
What is the InChIKey of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is WNDQNJUEMXPASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-7-12(16-4)17-13(10-5-6-10)18-14(7)20-9(3)11(15)8(2)19-20/h10H,5-6H2,1-4H3,(H,16,17,18).
What are the key properties of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 291.79 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80988650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).