N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine

C16H24N6O — CID 51105076

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCOc1c(CNC2CCN(c3ncccn3)CC2)c(C)nn1C
InChIInChI=1S/C16H24N6O/c1-12-14(15(23-3)21(2)20-12)11-19-13-5-9-22(10-6-13)16-17-7-4-8-18-16/h4,7-8,13,19H,5-6,9-11H2,1-3H3
InChIKeyKAYISGJMGIVCPN-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.29
Rot. Bonds5

About N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine (PubChem CID 51105076) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
PubChem CID51105076
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCOc1c(CNC2CCN(c3ncccn3)CC2)c(C)nn1C
InChIInChI=1S/C16H24N6O/c1-12-14(15(23-3)21(2)20-12)11-19-13-5-9-22(10-6-13)16-17-7-4-8-18-16/h4,7-8,13,19H,5-6,9-11H2,1-3H3
InChIKeyKAYISGJMGIVCPN-UHFFFAOYSA-N
XLogP1.29
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-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-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine (CID 51105076) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine is COc1c(CNC2CCN(c3ncccn3)CC2)c(C)nn1C.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The InChIKey is KAYISGJMGIVCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-12-14(15(23-3)21(2)20-12)11-19-13-5-9-22(10-6-13)16-17-7-4-8-18-16/h4,7-8,13,19H,5-6,9-11H2,1-3H3.
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine has a molecular weight of 316.41 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine is sourced from PubChem (CID 51105076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).