5-chloro-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine

C13H17ClN6 — CID 172824528

IUPAC5-chloro-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCN1CCC(n2cc(Nc3ncc(Cl)cn3)cn2)CC1
InChIInChI=1S/C13H17ClN6/c1-19-4-2-12(3-5-19)20-9-11(8-17-20)18-13-15-6-10(14)7-16-13/h6-9,12H,2-5H2,1H3,(H,15,16,18)
InChIKeyURHMBJGGQPHDKG-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.34
Rot. Bonds3

About 5-chloro-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine

5-chloro-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 172824528) has the molecular formula C13H17ClN6 and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-chloro-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine
PubChem CID172824528
Molecular FormulaC13H17ClN6
Molecular Weight292.77 g/mol
Exact Mass292.12
IUPAC Name5-chloro-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCN1CCC(n2cc(Nc3ncc(Cl)cn3)cn2)CC1
InChIInChI=1S/C13H17ClN6/c1-19-4-2-12(3-5-19)20-9-11(8-17-20)18-13-15-6-10(14)7-16-13/h6-9,12H,2-5H2,1H3,(H,15,16,18)
InChIKeyURHMBJGGQPHDKG-UHFFFAOYSA-N
XLogP2.34
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-ol
CID 169158124
4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol
CID 155204644
4-cyclopropyloxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carbaldehyde;2,6-dichloro-N-methylaniline
CID 176676029
ethane;4-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 145336742
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine
CID 168990722
4-[5-chloro-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]-N-(cyanomethyl)benzamide
CID 154927982
4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 169158202
4-[5-chloro-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]-N-(1-cyanoethyl)benzamide
CID 175144382
2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-N-quinolin-6-ylpyrimidine-2,4,5-triamine
CID 90390043
1,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine
CID 154930834
1-(1-methylpiperidin-4-yl)pyrazole-4-thiol
CID 149139949
4-(4-bromopyrazol-1-yl)-1-methylpiperidine
CID 59599418

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine (CID 172824528) is 5-chloro-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine is CN1CCC(n2cc(Nc3ncc(Cl)cn3)cn2)CC1.
What is the InChIKey of 5-chloro-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is URHMBJGGQPHDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6/c1-19-4-2-12(3-5-19)20-9-11(8-17-20)18-13-15-6-10(14)7-16-13/h6-9,12H,2-5H2,1H3,(H,15,16,18).
What are the key properties of 5-chloro-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
5-chloro-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 292.77 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 172824528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).