N,2-dimethyl-6-piperidin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine

C16H24N6 — CID 56708679

IUPACN,2-dimethyl-6-piperidin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(C2CCNCC2)cc(N(C)CCc2cn[nH]c2)n1
InChIInChI=1S/C16H24N6/c1-12-20-15(14-3-6-17-7-4-14)9-16(21-12)22(2)8-5-13-10-18-19-11-13/h9-11,14,17H,3-8H2,1-2H3,(H,18,19)
InChIKeyHQXWDZVFXRVDLM-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.65
Rot. Bonds5

About N,2-dimethyl-6-piperidin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine

N,2-dimethyl-6-piperidin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 56708679) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is N,2-dimethyl-6-piperidin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-piperidin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
PubChem CID56708679
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC NameN,2-dimethyl-6-piperidin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(C2CCNCC2)cc(N(C)CCc2cn[nH]c2)n1
InChIInChI=1S/C16H24N6/c1-12-20-15(14-3-6-17-7-4-14)9-16(21-12)22(2)8-5-13-10-18-19-11-13/h9-11,14,17H,3-8H2,1-2H3,(H,18,19)
InChIKeyHQXWDZVFXRVDLM-UHFFFAOYSA-N
XLogP1.65
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N,2-dimethyl-6-piperidin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]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

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-piperidin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-6-piperidin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine (CID 56708679) is N,2-dimethyl-6-piperidin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-6-piperidin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-6-piperidin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine is Cc1nc(C2CCNCC2)cc(N(C)CCc2cn[nH]c2)n1.
What is the InChIKey of N,2-dimethyl-6-piperidin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is HQXWDZVFXRVDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-12-20-15(14-3-6-17-7-4-14)9-16(21-12)22(2)8-5-13-10-18-19-11-13/h9-11,14,17H,3-8H2,1-2H3,(H,18,19).
What are the key properties of N,2-dimethyl-6-piperidin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
N,2-dimethyl-6-piperidin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 300.41 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-piperidin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 56708679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).