4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine

C20H25N7 — CID 154830060

IUPAC4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
SMILESCc1cc(C)n(-c2cc(N3CCN(Cc4ccncc4)CC3)nc(C)n2)n1
InChIInChI=1S/C20H25N7/c1-15-12-16(2)27(24-15)20-13-19(22-17(3)23-20)26-10-8-25(9-11-26)14-18-4-6-21-7-5-18/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeySGECQNPPGWDCCU-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.30
Rot. Bonds4

About 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine

4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine (PubChem CID 154830060) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
PubChem CID154830060
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
SMILESCc1cc(C)n(-c2cc(N3CCN(Cc4ccncc4)CC3)nc(C)n2)n1
InChIInChI=1S/C20H25N7/c1-15-12-16(2)27(24-15)20-13-19(22-17(3)23-20)26-10-8-25(9-11-26)14-18-4-6-21-7-5-18/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeySGECQNPPGWDCCU-UHFFFAOYSA-N
XLogP2.30
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine with MolForge

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Related Compounds

2-methyl-4-piperidin-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 166605105
2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 154830051
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]pyrimidine
CID 171323834
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
CID 154853730
4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine
CID 146074650
4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 102051125
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 165433739
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
CID 155976481
2-(3,5-dimethylpyrazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrazine
CID 133273839
4-[6-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 155800699
4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 762223
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 133458607

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine (CID 154830060) is 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine is Cc1cc(C)n(-c2cc(N3CCN(Cc4ccncc4)CC3)nc(C)n2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine?
The InChIKey is SGECQNPPGWDCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c1-15-12-16(2)27(24-15)20-13-19(22-17(3)23-20)26-10-8-25(9-11-26)14-18-4-6-21-7-5-18/h4-7,12-13H,8-11,14H2,1-3H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine?
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine has a molecular weight of 363.47 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 154830060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).