2,4-dimethyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine

C15H22N6 — CID 95828152

IUPAC2,4-dimethyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCc1cc(N2CCN(Cc3cnn(C)c3)CC2)nc(C)n1
InChIInChI=1S/C15H22N6/c1-12-8-15(18-13(2)17-12)21-6-4-20(5-7-21)11-14-9-16-19(3)10-14/h8-10H,4-7,11H2,1-3H3
InChIKeyXXKGVUOKGUJBEZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.15
Rot. Bonds3

About 2,4-dimethyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine

2,4-dimethyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 95828152) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2,4-dimethyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine
PubChem CID95828152
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name2,4-dimethyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCc1cc(N2CCN(Cc3cnn(C)c3)CC2)nc(C)n1
InChIInChI=1S/C15H22N6/c1-12-8-15(18-13(2)17-12)21-6-4-20(5-7-21)11-14-9-16-19(3)10-14/h8-10H,4-7,11H2,1-3H3
InChIKeyXXKGVUOKGUJBEZ-UHFFFAOYSA-N
XLogP1.15
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2,4-dimethyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine (CID 95828152) is 2,4-dimethyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2,4-dimethyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2,4-dimethyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine is Cc1cc(N2CCN(Cc3cnn(C)c3)CC2)nc(C)n1.
What is the InChIKey of 2,4-dimethyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is XXKGVUOKGUJBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-12-8-15(18-13(2)17-12)21-6-4-20(5-7-21)11-14-9-16-19(3)10-14/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 2,4-dimethyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine?
2,4-dimethyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 286.38 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 95828152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).