4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

C11H19N3O3 — CID 136870607

IUPAC4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOCC(CO)Nc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C11H19N3O3/c1-7(2)11-13-9(4-10(16)14-11)12-8(5-15)6-17-3/h4,7-8,15H,5-6H2,1-3H3,(H2,12,13,14,16)
InChIKeyWPFVLNKVKVKFPY-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.31
Rot. Bonds6

About 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136870607) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136870607
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOCC(CO)Nc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C11H19N3O3/c1-7(2)11-13-9(4-10(16)14-11)12-8(5-15)6-17-3/h4,7-8,15H,5-6H2,1-3H3,(H2,12,13,14,16)
InChIKeyWPFVLNKVKVKFPY-UHFFFAOYSA-N
XLogP0.31
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136870607) is 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is COCC(CO)Nc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is WPFVLNKVKVKFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-7(2)11-13-9(4-10(16)14-11)12-8(5-15)6-17-3/h4,7-8,15H,5-6H2,1-3H3,(H2,12,13,14,16).
What are the key properties of 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 241.29 g/mol, XLogP of 0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136870607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).