1-benzyl-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-2-one;hydrochloride

C19H23ClN4O — CID 154580874

IUPAC1-benzyl-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-2-one;hydrochloride
SMILESCc1cc(N2CCN(Cc3ccccc3)C(=O)C2)nc(C2CC2)n1.Cl
InChIInChI=1S/C19H22N4O.ClH/c1-14-11-17(21-19(20-14)16-7-8-16)22-9-10-23(18(24)13-22)12-15-5-3-2-4-6-15;/h2-6,11,16H,7-10,12-13H2,1H3;1H
InChIKeyIEFQAZNTOFGKAH-UHFFFAOYSA-N
MW358.87 g/mol
LogP2.93
Rot. Bonds4

About 1-benzyl-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-2-one;hydrochloride

1-benzyl-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-2-one;hydrochloride (PubChem CID 154580874) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 1-benzyl-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-benzyl-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-2-one;hydrochloride
PubChem CID154580874
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name1-benzyl-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-2-one;hydrochloride
SMILESCc1cc(N2CCN(Cc3ccccc3)C(=O)C2)nc(C2CC2)n1.Cl
InChIInChI=1S/C19H22N4O.ClH/c1-14-11-17(21-19(20-14)16-7-8-16)22-9-10-23(18(24)13-22)12-15-5-3-2-4-6-15;/h2-6,11,16H,7-10,12-13H2,1H3;1H
InChIKeyIEFQAZNTOFGKAH-UHFFFAOYSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-2-one;hydrochloride?
The IUPAC name of 1-benzyl-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-2-one;hydrochloride (CID 154580874) is 1-benzyl-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-benzyl-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-2-one;hydrochloride?
The canonical SMILES for 1-benzyl-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-2-one;hydrochloride is Cc1cc(N2CCN(Cc3ccccc3)C(=O)C2)nc(C2CC2)n1.Cl.
What is the InChIKey of 1-benzyl-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-2-one;hydrochloride?
The InChIKey is IEFQAZNTOFGKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O.ClH/c1-14-11-17(21-19(20-14)16-7-8-16)22-9-10-23(18(24)13-22)12-15-5-3-2-4-6-15;/h2-6,11,16H,7-10,12-13H2,1H3;1H.
What are the key properties of 1-benzyl-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-2-one;hydrochloride?
1-benzyl-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-2-one;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-2-one;hydrochloride is sourced from PubChem (CID 154580874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).