4,5-dimethyl-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine

C17H20N8 — CID 146074558

IUPAC4,5-dimethyl-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
SMILESCc1ncnc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)c1C
InChIInChI=1S/C17H20N8/c1-13-14(2)18-11-21-17(13)24-8-6-23(7-9-24)15-10-16(20-12-19-15)25-5-3-4-22-25/h3-5,10-12H,6-9H2,1-2H3
InChIKeyZINMCUDFEHPJJS-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.40
Rot. Bonds3

About 4,5-dimethyl-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine

4,5-dimethyl-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine (PubChem CID 146074558) has the molecular formula C17H20N8 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4,5-dimethyl-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
PubChem CID146074558
Molecular FormulaC17H20N8
Molecular Weight336.40 g/mol
Exact Mass336.18
IUPAC Name4,5-dimethyl-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
SMILESCc1ncnc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)c1C
InChIInChI=1S/C17H20N8/c1-13-14(2)18-11-21-17(13)24-8-6-23(7-9-24)15-10-16(20-12-19-15)25-5-3-4-22-25/h3-5,10-12H,6-9H2,1-2H3
InChIKeyZINMCUDFEHPJJS-UHFFFAOYSA-N
XLogP1.40
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 165433573
1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one
CID 154829998
4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 163349499
2-methyl-4-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 155976620
4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 154853650
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337262
4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 10805650
(3,4-dimethylphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700193
N-(4-methylphenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 47001582
4-pyrazol-1-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 155974337
2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
CID 154883096
4-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 121072515

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4,5-dimethyl-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine (CID 146074558) is 4,5-dimethyl-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4,5-dimethyl-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4,5-dimethyl-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine is Cc1ncnc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)c1C.
What is the InChIKey of 4,5-dimethyl-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The InChIKey is ZINMCUDFEHPJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8/c1-13-14(2)18-11-21-17(13)24-8-6-23(7-9-24)15-10-16(20-12-19-15)25-5-3-4-22-25/h3-5,10-12H,6-9H2,1-2H3.
What are the key properties of 4,5-dimethyl-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
4,5-dimethyl-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine has a molecular weight of 336.40 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 146074558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).