2-(dimethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

C9H15N3O2 — CID 63612461

IUPAC2-(dimethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(N(C)C)[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-5(2)6-7(13)10-9(12(3)4)11-8(6)14/h5H,1-4H3,(H2,10,11,13,14)
InChIKeyAPVWAPUGPXHQGS-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.66
Rot. Bonds2

About 2-(dimethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

2-(dimethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 63612461) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(dimethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID63612461
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(dimethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(N(C)C)[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-5(2)6-7(13)10-9(12(3)4)11-8(6)14/h5H,1-4H3,(H2,10,11,13,14)
InChIKeyAPVWAPUGPXHQGS-UHFFFAOYSA-N
XLogP0.66
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (CID 63612461) is 2-(dimethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1c(O)nc(N(C)C)[nH]c1=O.
What is the InChIKey of 2-(dimethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is APVWAPUGPXHQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-5(2)6-7(13)10-9(12(3)4)11-8(6)14/h5H,1-4H3,(H2,10,11,13,14).
What are the key properties of 2-(dimethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
2-(dimethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63612461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).