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

C13H17N5O — CID 51104275

IUPAC4-methoxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCC(c3ccn[nH]3)CC2)n1
InChIInChI=1S/C13H17N5O/c1-19-12-3-6-14-13(16-12)18-8-4-10(5-9-18)11-2-7-15-17-11/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,15,17)
InChIKeyGHWYBPMOEIGCIF-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.59
Rot. Bonds3

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

4-methoxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine (PubChem CID 51104275) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-methoxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
PubChem CID51104275
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-methoxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCC(c3ccn[nH]3)CC2)n1
InChIInChI=1S/C13H17N5O/c1-19-12-3-6-14-13(16-12)18-8-4-10(5-9-18)11-2-7-15-17-11/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,15,17)
InChIKeyGHWYBPMOEIGCIF-UHFFFAOYSA-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

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Related Compounds

2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 51104267
2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-4-methoxypyrimidine
CID 122139046
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62591605
1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 31968556
trans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol
CID 167811246
5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 133299384
3-cyclopropyl-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]imidazolidine-2,4-dione
CID 154882570
2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine
CID 24737031
N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylpyridin-2-amine
CID 155975727
2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine
CID 171701610
4-methoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine
CID 66195619

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine (CID 51104275) is 4-methoxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine is COc1ccnc(N2CCC(c3ccn[nH]3)CC2)n1.
What is the InChIKey of 4-methoxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine?
The InChIKey is GHWYBPMOEIGCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-19-12-3-6-14-13(16-12)18-8-4-10(5-9-18)11-2-7-15-17-11/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,15,17).
What are the key properties of 4-methoxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine?
4-methoxy-2-[4-(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-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 51104275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).