4-(3,5-dimethylpyrazol-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine

C16H24N6 — CID 53172430

IUPAC4-(3,5-dimethylpyrazol-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
SMILESCc1cc(C)n(-c2ccnc(N3CCN(C(C)C)CC3)n2)n1
InChIInChI=1S/C16H24N6/c1-12(2)20-7-9-21(10-8-20)16-17-6-5-15(18-16)22-14(4)11-13(3)19-22/h5-6,11-12H,7-10H2,1-4H3
InChIKeyLDGYFMQYDVTRRC-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.81
Rot. Bonds3

About 4-(3,5-dimethylpyrazol-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine

4-(3,5-dimethylpyrazol-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 53172430) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
PubChem CID53172430
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
SMILESCc1cc(C)n(-c2ccnc(N3CCN(C(C)C)CC3)n2)n1
InChIInChI=1S/C16H24N6/c1-12(2)20-7-9-21(10-8-20)16-17-6-5-15(18-16)22-14(4)11-13(3)19-22/h5-6,11-12H,7-10H2,1-4H3
InChIKeyLDGYFMQYDVTRRC-UHFFFAOYSA-N
XLogP1.81
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.81
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)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine (CID 53172430) is 4-(3,5-dimethylpyrazol-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine is Cc1cc(C)n(-c2ccnc(N3CCN(C(C)C)CC3)n2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is LDGYFMQYDVTRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-12(2)20-7-9-21(10-8-20)16-17-6-5-15(18-16)22-14(4)11-13(3)19-22/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
4-(3,5-dimethylpyrazol-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 300.41 g/mol, XLogP of 1.81, 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)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 53172430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).