2-methyl-4-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine

C17H25N5 — CID 110115044

IUPAC2-methyl-4-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine
SMILESCCCn1cc(CN2CCCC(c3ccnc(C)n3)C2)cn1
InChIInChI=1S/C17H25N5/c1-3-8-22-12-15(10-19-22)11-21-9-4-5-16(13-21)17-6-7-18-14(2)20-17/h6-7,10,12,16H,3-5,8-9,11,13H2,1-2H3
InChIKeyGMICZUMVTBAYPJ-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.77
Rot. Bonds5

About 2-methyl-4-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine

2-methyl-4-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine (PubChem CID 110115044) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-methyl-4-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine
PubChem CID110115044
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name2-methyl-4-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine
SMILESCCCn1cc(CN2CCCC(c3ccnc(C)n3)C2)cn1
InChIInChI=1S/C17H25N5/c1-3-8-22-12-15(10-19-22)11-21-9-4-5-16(13-21)17-6-7-18-14(2)20-17/h6-7,10,12,16H,3-5,8-9,11,13H2,1-2H3
InChIKeyGMICZUMVTBAYPJ-UHFFFAOYSA-N
XLogP2.77
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
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2-[4-[[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]phenyl]benzoic acid
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5-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine
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7-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine
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2-(3-methylphenyl)-6-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine
CID 110249816
2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine
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2-methyl-4-[[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine?
The IUPAC name of 2-methyl-4-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine (CID 110115044) is 2-methyl-4-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine is CCCn1cc(CN2CCCC(c3ccnc(C)n3)C2)cn1.
What is the InChIKey of 2-methyl-4-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine?
The InChIKey is GMICZUMVTBAYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-3-8-22-12-15(10-19-22)11-21-9-4-5-16(13-21)17-6-7-18-14(2)20-17/h6-7,10,12,16H,3-5,8-9,11,13H2,1-2H3.
What are the key properties of 2-methyl-4-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine?
2-methyl-4-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine has a molecular weight of 299.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine is sourced from PubChem (CID 110115044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).