2,4,5-trimethyl-6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine

C16H23N5 — CID 72907843

IUPAC2,4,5-trimethyl-6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine
SMILESCc1nc(C)c(C)c(N2CCC(Cn3cccn3)CC2)n1
InChIInChI=1S/C16H23N5/c1-12-13(2)18-14(3)19-16(12)20-9-5-15(6-10-20)11-21-8-4-7-17-21/h4,7-8,15H,5-6,9-11H2,1-3H3
InChIKeyRGWFQKNJVBTZGV-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.51
Rot. Bonds3

About 2,4,5-trimethyl-6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine

2,4,5-trimethyl-6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine (PubChem CID 72907843) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2,4,5-trimethyl-6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2,4,5-trimethyl-6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine
PubChem CID72907843
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2,4,5-trimethyl-6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine
SMILESCc1nc(C)c(C)c(N2CCC(Cn3cccn3)CC2)n1
InChIInChI=1S/C16H23N5/c1-12-13(2)18-14(3)19-16(12)20-9-5-15(6-10-20)11-21-8-4-7-17-21/h4,7-8,15H,5-6,9-11H2,1-3H3
InChIKeyRGWFQKNJVBTZGV-UHFFFAOYSA-N
XLogP2.51
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine
CID 72919850
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
1-ethylsulfonyl-4-(pyrazol-1-ylmethyl)piperidine
CID 90495378
2-methyl-4-[4-(triazol-1-ylmethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133462008
6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122048040
1-[(2-methylphenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 90495315
8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline
CID 133388481
(4-methylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494869
ethyl 2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetate
CID 90495334
6-(4-ethylpiperidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 80795154
1-[3-(5-methylpyrazol-1-yl)propyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 31134485
2,4,5-trimethyl-6-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]pyrimidine
CID 84587555

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 2,4,5-trimethyl-6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine (CID 72907843) is 2,4,5-trimethyl-6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2,4,5-trimethyl-6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2,4,5-trimethyl-6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine is Cc1nc(C)c(C)c(N2CCC(Cn3cccn3)CC2)n1.
What is the InChIKey of 2,4,5-trimethyl-6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine?
The InChIKey is RGWFQKNJVBTZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12-13(2)18-14(3)19-16(12)20-9-5-15(6-10-20)11-21-8-4-7-17-21/h4,7-8,15H,5-6,9-11H2,1-3H3.
What are the key properties of 2,4,5-trimethyl-6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine?
2,4,5-trimethyl-6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine has a molecular weight of 285.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 72907843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).