4-[(2R)-1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine

C16H23N5 — CID 125016297

IUPAC4-[(2R)-1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine
SMILESCCCn1cc(CN2CCCC[C@@H]2c2ccncn2)cn1
InChIInChI=1S/C16H23N5/c1-2-8-21-12-14(10-19-21)11-20-9-4-3-5-16(20)15-6-7-17-13-18-15/h6-7,10,12-13,16H,2-5,8-9,11H2,1H3/t16-/m1/s1
InChIKeyWZLSOERVFPCVBI-MRXNPFEDSA-N
MW285.39 g/mol
LogP2.81
Rot. Bonds5

About 4-[(2R)-1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine

4-[(2R)-1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine (PubChem CID 125016297) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[(2R)-1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine.

Molecular Properties

Compound Name4-[(2R)-1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine
PubChem CID125016297
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name4-[(2R)-1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine
SMILESCCCn1cc(CN2CCCC[C@@H]2c2ccncn2)cn1
InChIInChI=1S/C16H23N5/c1-2-8-21-12-14(10-19-21)11-20-9-4-3-5-16(20)15-6-7-17-13-18-15/h6-7,10,12-13,16H,2-5,8-9,11H2,1H3/t16-/m1/s1
InChIKeyWZLSOERVFPCVBI-MRXNPFEDSA-N
XLogP2.81
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine
CID 124944246
2-[(2R)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine
CID 124944247
2-methyl-5-[[(2R)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 125026753
2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 95846033
2-imidazol-1-yl-6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95826958
4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrimidine
CID 110271171
4-(1-benzylpyrrolidin-2-yl)pyrimidine
CID 175656203
4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 110270807
4-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 95845165
N-[[6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124940019
1-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine
CID 104869108
2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95730792

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine?
The IUPAC name of 4-[(2R)-1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine (CID 125016297) is 4-[(2R)-1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine.
What is the SMILES notation for 4-[(2R)-1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine?
The canonical SMILES for 4-[(2R)-1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine is CCCn1cc(CN2CCCC[C@@H]2c2ccncn2)cn1.
What is the InChIKey of 4-[(2R)-1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine?
The InChIKey is WZLSOERVFPCVBI-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23N5/c1-2-8-21-12-14(10-19-21)11-20-9-4-3-5-16(20)15-6-7-17-13-18-15/h6-7,10,12-13,16H,2-5,8-9,11H2,1H3/t16-/m1/s1.
What are the key properties of 4-[(2R)-1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine?
4-[(2R)-1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine has a molecular weight of 285.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine is sourced from PubChem (CID 125016297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).