4-hydroxy-2-pentan-3-yl-5-propan-2-yl-1H-pyrimidin-6-one

C12H20N2O2 — CID 63612308

IUPAC4-hydroxy-2-pentan-3-yl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC(CC)c1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C12H20N2O2/c1-5-8(6-2)10-13-11(15)9(7(3)4)12(16)14-10/h7-8H,5-6H2,1-4H3,(H2,13,14,15,16)
InChIKeyWXNCOBFERSMAIB-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.50
Rot. Bonds4

About 4-hydroxy-2-pentan-3-yl-5-propan-2-yl-1H-pyrimidin-6-one

4-hydroxy-2-pentan-3-yl-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 63612308) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-hydroxy-2-pentan-3-yl-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-pentan-3-yl-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID63612308
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-hydroxy-2-pentan-3-yl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC(CC)c1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C12H20N2O2/c1-5-8(6-2)10-13-11(15)9(7(3)4)12(16)14-10/h7-8H,5-6H2,1-4H3,(H2,13,14,15,16)
InChIKeyWXNCOBFERSMAIB-UHFFFAOYSA-N
XLogP2.50
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-pentan-3-yl-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-pentan-3-yl-5-propan-2-yl-1H-pyrimidin-6-one (CID 63612308) is 4-hydroxy-2-pentan-3-yl-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-pentan-3-yl-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-pentan-3-yl-5-propan-2-yl-1H-pyrimidin-6-one is CCC(CC)c1nc(O)c(C(C)C)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-pentan-3-yl-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is WXNCOBFERSMAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-5-8(6-2)10-13-11(15)9(7(3)4)12(16)14-10/h7-8H,5-6H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 4-hydroxy-2-pentan-3-yl-5-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-2-pentan-3-yl-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 224.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-pentan-3-yl-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63612308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).