[5-(2,4-dimethylphenyl)pyrimidin-2-yl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone

C21H24N4O3 — CID 159339649

IUPAC[5-(2,4-dimethylphenyl)pyrimidin-2-yl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
SMILESCc1ccc(-c2cnc(C(=O)N3CCN(C(=O)C4(O)CC4)CC3)nc2)c(C)c1
InChIInChI=1S/C21H24N4O3/c1-14-3-4-17(15(2)11-14)16-12-22-18(23-13-16)19(26)24-7-9-25(10-8-24)20(27)21(28)5-6-21/h3-4,11-13,28H,5-10H2,1-2H3
InChIKeyLFZBAUFZZBIPJY-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.57
Rot. Bonds3

About [5-(2,4-dimethylphenyl)pyrimidin-2-yl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone

[5-(2,4-dimethylphenyl)pyrimidin-2-yl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone (PubChem CID 159339649) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is [5-(2,4-dimethylphenyl)pyrimidin-2-yl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(2,4-dimethylphenyl)pyrimidin-2-yl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
PubChem CID159339649
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name[5-(2,4-dimethylphenyl)pyrimidin-2-yl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
SMILESCc1ccc(-c2cnc(C(=O)N3CCN(C(=O)C4(O)CC4)CC3)nc2)c(C)c1
InChIInChI=1S/C21H24N4O3/c1-14-3-4-17(15(2)11-14)16-12-22-18(23-13-16)19(26)24-7-9-25(10-8-24)20(27)21(28)5-6-21/h3-4,11-13,28H,5-10H2,1-2H3
InChIKeyLFZBAUFZZBIPJY-UHFFFAOYSA-N
XLogP1.57
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dimethylphenyl)pyrimidin-2-yl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(2,4-dimethylphenyl)pyrimidin-2-yl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone (CID 159339649) is [5-(2,4-dimethylphenyl)pyrimidin-2-yl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(2,4-dimethylphenyl)pyrimidin-2-yl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(2,4-dimethylphenyl)pyrimidin-2-yl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone is Cc1ccc(-c2cnc(C(=O)N3CCN(C(=O)C4(O)CC4)CC3)nc2)c(C)c1.
What is the InChIKey of [5-(2,4-dimethylphenyl)pyrimidin-2-yl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
The InChIKey is LFZBAUFZZBIPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14-3-4-17(15(2)11-14)16-12-22-18(23-13-16)19(26)24-7-9-25(10-8-24)20(27)21(28)5-6-21/h3-4,11-13,28H,5-10H2,1-2H3.
What are the key properties of [5-(2,4-dimethylphenyl)pyrimidin-2-yl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
[5-(2,4-dimethylphenyl)pyrimidin-2-yl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone has a molecular weight of 380.45 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dimethylphenyl)pyrimidin-2-yl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 159339649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).