2-cyclopropyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one

C20H24N4O2 — CID 56906110

IUPAC2-cyclopropyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCc1ccccc1CN1CCN(C(=O)c2cnc(C3CC3)[nH]c2=O)CC1
InChIInChI=1S/C20H24N4O2/c1-14-4-2-3-5-16(14)13-23-8-10-24(11-9-23)20(26)17-12-21-18(15-6-7-15)22-19(17)25/h2-5,12,15H,6-11,13H2,1H3,(H,21,22,25)
InChIKeyICIULFMQMXNXFT-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.91
Rot. Bonds4

About 2-cyclopropyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one

2-cyclopropyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 56906110) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID56906110
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-cyclopropyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCc1ccccc1CN1CCN(C(=O)c2cnc(C3CC3)[nH]c2=O)CC1
InChIInChI=1S/C20H24N4O2/c1-14-4-2-3-5-16(14)13-23-8-10-24(11-9-23)20(26)17-12-21-18(15-6-7-15)22-19(17)25/h2-5,12,15H,6-11,13H2,1H3,(H,21,22,25)
InChIKeyICIULFMQMXNXFT-UHFFFAOYSA-N
XLogP1.91
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one (CID 56906110) is 2-cyclopropyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one is Cc1ccccc1CN1CCN(C(=O)c2cnc(C3CC3)[nH]c2=O)CC1.
What is the InChIKey of 2-cyclopropyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is ICIULFMQMXNXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14-4-2-3-5-16(14)13-23-8-10-24(11-9-23)20(26)17-12-21-18(15-6-7-15)22-19(17)25/h2-5,12,15H,6-11,13H2,1H3,(H,21,22,25).
What are the key properties of 2-cyclopropyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one?
2-cyclopropyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 352.44 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 56906110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).