4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine

C14H20N6 — CID 110271006

IUPAC4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
SMILESCn1cc(CN2CCCC(c3ccnc(N)n3)C2)cn1
InChIInChI=1S/C14H20N6/c1-19-8-11(7-17-19)9-20-6-2-3-12(10-20)13-4-5-16-14(15)18-13/h4-5,7-8,12H,2-3,6,9-10H2,1H3,(H2,15,16,18)
InChIKeyRNTHCNKZBXEZHO-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.17
Rot. Bonds3

About 4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine

4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine (PubChem CID 110271006) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
PubChem CID110271006
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
SMILESCn1cc(CN2CCCC(c3ccnc(N)n3)C2)cn1
InChIInChI=1S/C14H20N6/c1-19-8-11(7-17-19)9-20-6-2-3-12(10-20)13-4-5-16-14(15)18-13/h4-5,7-8,12H,2-3,6,9-10H2,1H3,(H2,15,16,18)
InChIKeyRNTHCNKZBXEZHO-UHFFFAOYSA-N
XLogP1.17
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-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

2-methyl-4-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine
CID 110115044
4-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrimidin-2-amine
CID 95821349
2-(3-methylphenyl)-6-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine
CID 110249816
2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine
CID 95810295
4-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 100748585
N,N-dimethyl-4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 125008778
(3S)-3-(2-methylphenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 95872001
[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-[1-ethyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methanone
CID 126804476
4-(1-ethylsulfonylpiperidin-3-yl)pyrimidin-2-amine
CID 110250142
4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]benzoic acid
CID 97201982
2-methyl-4-[(3R)-1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrimidine
CID 124949798
2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine
CID 110091435

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine (CID 110271006) is 4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine is Cn1cc(CN2CCCC(c3ccnc(N)n3)C2)cn1.
What is the InChIKey of 4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is RNTHCNKZBXEZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-19-8-11(7-17-19)9-20-6-2-3-12(10-20)13-4-5-16-14(15)18-13/h4-5,7-8,12H,2-3,6,9-10H2,1H3,(H2,15,16,18).
What are the key properties of 4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine?
4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 272.36 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 110271006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).