[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone

C17H22N6O — CID 172900074

IUPAC[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCN(c3cc(C4CCC4)ncn3)CC2)cn1
InChIInChI=1S/C17H22N6O/c1-21-11-14(10-20-21)17(24)23-7-5-22(6-8-23)16-9-15(18-12-19-16)13-3-2-4-13/h9-13H,2-8H2,1H3
InChIKeyAMUAHKXDIJGBBE-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.44
Rot. Bonds3

About [4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone

[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 172900074) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is [4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID172900074
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCN(c3cc(C4CCC4)ncn3)CC2)cn1
InChIInChI=1S/C17H22N6O/c1-21-11-14(10-20-21)17(24)23-7-5-22(6-8-23)16-9-15(18-12-19-16)13-3-2-4-13/h9-13H,2-8H2,1H3
InChIKeyAMUAHKXDIJGBBE-UHFFFAOYSA-N
XLogP1.44
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 172900074) is [4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)N2CCN(c3cc(C4CCC4)ncn3)CC2)cn1.
What is the InChIKey of [4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is AMUAHKXDIJGBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-21-11-14(10-20-21)17(24)23-7-5-22(6-8-23)16-9-15(18-12-19-16)13-3-2-4-13/h9-13H,2-8H2,1H3.
What are the key properties of [4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 172900074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).