4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine

C20H24N6 — CID 7647094

IUPAC4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine
SMILESCc1cc(C)n(-c2cc(N3CCN(C)CC3)nc(-c3ccccc3)n2)n1
InChIInChI=1S/C20H24N6/c1-15-13-16(2)26(23-15)19-14-18(25-11-9-24(3)10-12-25)21-20(22-19)17-7-5-4-6-8-17/h4-8,13-14H,9-12H2,1-3H3
InChIKeyNWMVQDJYFYGSGL-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.70
Rot. Bonds3

About 4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine

4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine (PubChem CID 7647094) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine
PubChem CID7647094
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine
SMILESCc1cc(C)n(-c2cc(N3CCN(C)CC3)nc(-c3ccccc3)n2)n1
InChIInChI=1S/C20H24N6/c1-15-13-16(2)26(23-15)19-14-18(25-11-9-24(3)10-12-25)21-20(22-19)17-7-5-4-6-8-17/h4-8,13-14H,9-12H2,1-3H3
InChIKeyNWMVQDJYFYGSGL-UHFFFAOYSA-N
XLogP2.70
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine (CID 7647094) is 4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine is Cc1cc(C)n(-c2cc(N3CCN(C)CC3)nc(-c3ccccc3)n2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine?
The InChIKey is NWMVQDJYFYGSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-15-13-16(2)26(23-15)19-14-18(25-11-9-24(3)10-12-25)21-20(22-19)17-7-5-4-6-8-17/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine?
4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine has a molecular weight of 348.45 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine is sourced from PubChem (CID 7647094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).