2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine

C18H21N7 — CID 154830051

IUPAC2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
SMILESCc1nc(N2CCN(Cc3ccncc3)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C18H21N7/c1-15-21-17(13-18(22-15)25-8-2-5-20-25)24-11-9-23(10-12-24)14-16-3-6-19-7-4-16/h2-8,13H,9-12,14H2,1H3
InChIKeyJIIUDDLUNOKLLG-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.69
Rot. Bonds4

About 2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine

2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine (PubChem CID 154830051) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is 2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
PubChem CID154830051
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
SMILESCc1nc(N2CCN(Cc3ccncc3)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C18H21N7/c1-15-21-17(13-18(22-15)25-8-2-5-20-25)24-11-9-23(10-12-24)14-16-3-6-19-7-4-16/h2-8,13H,9-12,14H2,1H3
InChIKeyJIIUDDLUNOKLLG-UHFFFAOYSA-N
XLogP1.69
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine (CID 154830051) is 2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine is Cc1nc(N2CCN(Cc3ccncc3)CC2)cc(-n2cccn2)n1.
What is the InChIKey of 2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine?
The InChIKey is JIIUDDLUNOKLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-15-21-17(13-18(22-15)25-8-2-5-20-25)24-11-9-23(10-12-24)14-16-3-6-19-7-4-16/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine?
2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine has a molecular weight of 335.42 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 154830051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).