4-(3,3-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)pyrimidine

C19H22N6 — CID 166313462

IUPAC4-(3,3-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)pyrimidine
SMILESCC1(C)CN(c2ccnc(-c3cnn(-c4ccccc4)c3)n2)CCN1
InChIInChI=1S/C19H22N6/c1-19(2)14-24(11-10-21-19)17-8-9-20-18(23-17)15-12-22-25(13-15)16-6-4-3-5-7-16/h3-9,12-13,21H,10-11,14H2,1-2H3
InChIKeyPFNNNRDSVGWHRN-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.52
Rot. Bonds3

About 4-(3,3-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)pyrimidine

4-(3,3-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)pyrimidine (PubChem CID 166313462) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 4-(3,3-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-(3,3-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)pyrimidine
PubChem CID166313462
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name4-(3,3-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)pyrimidine
SMILESCC1(C)CN(c2ccnc(-c3cnn(-c4ccccc4)c3)n2)CCN1
InChIInChI=1S/C19H22N6/c1-19(2)14-24(11-10-21-19)17-8-9-20-18(23-17)15-12-22-25(13-15)16-6-4-3-5-7-16/h3-9,12-13,21H,10-11,14H2,1-2H3
InChIKeyPFNNNRDSVGWHRN-UHFFFAOYSA-N
XLogP2.52
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)pyrimidine?
The IUPAC name of 4-(3,3-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)pyrimidine (CID 166313462) is 4-(3,3-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 4-(3,3-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 4-(3,3-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)pyrimidine is CC1(C)CN(c2ccnc(-c3cnn(-c4ccccc4)c3)n2)CCN1.
What is the InChIKey of 4-(3,3-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)pyrimidine?
The InChIKey is PFNNNRDSVGWHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-19(2)14-24(11-10-21-19)17-8-9-20-18(23-17)15-12-22-25(13-15)16-6-4-3-5-7-16/h3-9,12-13,21H,10-11,14H2,1-2H3.
What are the key properties of 4-(3,3-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)pyrimidine?
4-(3,3-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)pyrimidine has a molecular weight of 334.43 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 166313462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).