4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-(piperidin-4-ylmethyl)pyrimidine

C15H21N5 — CID 110101106

IUPAC4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-(piperidin-4-ylmethyl)pyrimidine
SMILESCc1cc(-c2cc(C)[nH]n2)nc(CC2CCNCC2)n1
InChIInChI=1S/C15H21N5/c1-10-7-13(14-8-11(2)19-20-14)18-15(17-10)9-12-3-5-16-6-4-12/h7-8,12,16H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyRRPZDUYDLYKABJ-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.03
Rot. Bonds3

About 4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-(piperidin-4-ylmethyl)pyrimidine

4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-(piperidin-4-ylmethyl)pyrimidine (PubChem CID 110101106) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-(piperidin-4-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-(piperidin-4-ylmethyl)pyrimidine
PubChem CID110101106
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-(piperidin-4-ylmethyl)pyrimidine
SMILESCc1cc(-c2cc(C)[nH]n2)nc(CC2CCNCC2)n1
InChIInChI=1S/C15H21N5/c1-10-7-13(14-8-11(2)19-20-14)18-15(17-10)9-12-3-5-16-6-4-12/h7-8,12,16H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyRRPZDUYDLYKABJ-UHFFFAOYSA-N
XLogP2.03
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4,6-dimethylpyrimidin-2-yl)methyl]azepane
CID 84685067
4-methyl-6-(2-methylpropyl)-2-(piperidin-4-ylmethyl)pyrimidine
CID 116893542
2-(5-methyl-1H-pyrazol-3-yl)-5-(pyrrolidin-3-ylmethyl)pyridine
CID 110102053
2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)pyridine
CID 135135099
1-[3-[4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110101094
4,6-dimethyl-2-(piperidin-4-ylmethylsulfanyl)pyrimidine
CID 62305321
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-piperidin-4-ylacetamide
CID 92632152
2,6-dimethyl-4-piperidin-4-ylpyridine
CID 82403777
4-methyl-6-(4-methylphenyl)-N-(piperidin-4-ylmethyl)pyrimidin-2-amine
CID 82191722
4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 124944043
1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 110101867
2,4-dimethyl-6-(piperidin-4-ylmethoxy)pyrimidine
CID 62349222

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-(piperidin-4-ylmethyl)pyrimidine?
The IUPAC name of 4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-(piperidin-4-ylmethyl)pyrimidine (CID 110101106) is 4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-(piperidin-4-ylmethyl)pyrimidine.
What is the SMILES notation for 4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-(piperidin-4-ylmethyl)pyrimidine?
The canonical SMILES for 4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-(piperidin-4-ylmethyl)pyrimidine is Cc1cc(-c2cc(C)[nH]n2)nc(CC2CCNCC2)n1.
What is the InChIKey of 4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-(piperidin-4-ylmethyl)pyrimidine?
The InChIKey is RRPZDUYDLYKABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-10-7-13(14-8-11(2)19-20-14)18-15(17-10)9-12-3-5-16-6-4-12/h7-8,12,16H,3-6,9H2,1-2H3,(H,19,20).
What are the key properties of 4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-(piperidin-4-ylmethyl)pyrimidine?
4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-(piperidin-4-ylmethyl)pyrimidine has a molecular weight of 271.37 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-(piperidin-4-ylmethyl)pyrimidine is sourced from PubChem (CID 110101106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).