1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one

C14H22N4O3 — CID 63657793

IUPAC1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESCC(C)(O)CN1CCN(C(=O)Cn2cccnc2=O)CC1
InChIInChI=1S/C14H22N4O3/c1-14(2,21)11-16-6-8-17(9-7-16)12(19)10-18-5-3-4-15-13(18)20/h3-5,21H,6-11H2,1-2H3
InChIKeyPMRMKVWTTWAAQQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP-0.84
Rot. Bonds4

About 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one

1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one (PubChem CID 63657793) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one
PubChem CID63657793
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESCC(C)(O)CN1CCN(C(=O)Cn2cccnc2=O)CC1
InChIInChI=1S/C14H22N4O3/c1-14(2,21)11-16-6-8-17(9-7-16)12(19)10-18-5-3-4-15-13(18)20/h3-5,21H,6-11H2,1-2H3
InChIKeyPMRMKVWTTWAAQQ-UHFFFAOYSA-N
XLogP-0.84
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one (CID 63657793) is 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one is CC(C)(O)CN1CCN(C(=O)Cn2cccnc2=O)CC1.
What is the InChIKey of 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The InChIKey is PMRMKVWTTWAAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-14(2,21)11-16-6-8-17(9-7-16)12(19)10-18-5-3-4-15-13(18)20/h3-5,21H,6-11H2,1-2H3.
What are the key properties of 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one?
1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one has a molecular weight of 294.35 g/mol, XLogP of -0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 63657793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).