4-methoxy-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine

C13H17N5O — CID 129402936

IUPAC4-methoxy-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCC[C@@H](c3ccn[nH]3)C2)n1
InChIInChI=1S/C13H17N5O/c1-19-12-5-6-14-13(16-12)18-8-2-3-10(9-18)11-4-7-15-17-11/h4-7,10H,2-3,8-9H2,1H3,(H,15,17)/t10-/m1/s1
InChIKeyZYJMPYDBEXWNOZ-SNVBAGLBSA-N
MW259.31 g/mol
LogP1.59
Rot. Bonds3

About 4-methoxy-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine

4-methoxy-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine (PubChem CID 129402936) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-methoxy-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
PubChem CID129402936
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-methoxy-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCC[C@@H](c3ccn[nH]3)C2)n1
InChIInChI=1S/C13H17N5O/c1-19-12-5-6-14-13(16-12)18-8-2-3-10(9-18)11-4-7-15-17-11/h4-7,10H,2-3,8-9H2,1H3,(H,15,17)/t10-/m1/s1
InChIKeyZYJMPYDBEXWNOZ-SNVBAGLBSA-N
XLogP1.59
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine 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 4-methoxy-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine (CID 129402936) is 4-methoxy-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine is COc1ccnc(N2CCC[C@@H](c3ccn[nH]3)C2)n1.
What is the InChIKey of 4-methoxy-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine?
The InChIKey is ZYJMPYDBEXWNOZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N5O/c1-19-12-5-6-14-13(16-12)18-8-2-3-10(9-18)11-4-7-15-17-11/h4-7,10H,2-3,8-9H2,1H3,(H,15,17)/t10-/m1/s1.
What are the key properties of 4-methoxy-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine?
4-methoxy-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine has a molecular weight of 259.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 129402936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).