5-methyl-2-(4-methylpiperazin-1-yl)-4-(2-methylpyrazol-3-yl)pyrimidine

C14H20N6 — CID 29183669

IUPAC5-methyl-2-(4-methylpiperazin-1-yl)-4-(2-methylpyrazol-3-yl)pyrimidine
SMILESCc1cnc(N2CCN(C)CC2)nc1-c1ccnn1C
InChIInChI=1S/C14H20N6/c1-11-10-15-14(20-8-6-18(2)7-9-20)17-13(11)12-4-5-16-19(12)3/h4-5,10H,6-9H2,1-3H3
InChIKeyAEXDXLIOIABVHG-UHFFFAOYSA-N
MW272.36 g/mol
LogP0.94
Rot. Bonds2

About 5-methyl-2-(4-methylpiperazin-1-yl)-4-(2-methylpyrazol-3-yl)pyrimidine

5-methyl-2-(4-methylpiperazin-1-yl)-4-(2-methylpyrazol-3-yl)pyrimidine (PubChem CID 29183669) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 5-methyl-2-(4-methylpiperazin-1-yl)-4-(2-methylpyrazol-3-yl)pyrimidine.

Molecular Properties

Compound Name5-methyl-2-(4-methylpiperazin-1-yl)-4-(2-methylpyrazol-3-yl)pyrimidine
PubChem CID29183669
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name5-methyl-2-(4-methylpiperazin-1-yl)-4-(2-methylpyrazol-3-yl)pyrimidine
SMILESCc1cnc(N2CCN(C)CC2)nc1-c1ccnn1C
InChIInChI=1S/C14H20N6/c1-11-10-15-14(20-8-6-18(2)7-9-20)17-13(11)12-4-5-16-19(12)3/h4-5,10H,6-9H2,1-3H3
InChIKeyAEXDXLIOIABVHG-UHFFFAOYSA-N
XLogP0.94
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylpiperazin-1-yl)-4-(2-methylpyrazol-3-yl)pyrimidine?
The IUPAC name of 5-methyl-2-(4-methylpiperazin-1-yl)-4-(2-methylpyrazol-3-yl)pyrimidine (CID 29183669) is 5-methyl-2-(4-methylpiperazin-1-yl)-4-(2-methylpyrazol-3-yl)pyrimidine.
What is the SMILES notation for 5-methyl-2-(4-methylpiperazin-1-yl)-4-(2-methylpyrazol-3-yl)pyrimidine?
The canonical SMILES for 5-methyl-2-(4-methylpiperazin-1-yl)-4-(2-methylpyrazol-3-yl)pyrimidine is Cc1cnc(N2CCN(C)CC2)nc1-c1ccnn1C.
What is the InChIKey of 5-methyl-2-(4-methylpiperazin-1-yl)-4-(2-methylpyrazol-3-yl)pyrimidine?
The InChIKey is AEXDXLIOIABVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-11-10-15-14(20-8-6-18(2)7-9-20)17-13(11)12-4-5-16-19(12)3/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 5-methyl-2-(4-methylpiperazin-1-yl)-4-(2-methylpyrazol-3-yl)pyrimidine?
5-methyl-2-(4-methylpiperazin-1-yl)-4-(2-methylpyrazol-3-yl)pyrimidine has a molecular weight of 272.36 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylpiperazin-1-yl)-4-(2-methylpyrazol-3-yl)pyrimidine is sourced from PubChem (CID 29183669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).