2-ethyl-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one

C11H19N3O3 — CID 136938547

IUPAC2-ethyl-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NC(CC)(CO)CO)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O3/c1-3-8-12-9(5-10(17)13-8)14-11(4-2,6-15)7-16/h5,15-16H,3-4,6-7H2,1-2H3,(H2,12,13,14,17)
InChIKeyQSISVGGMLFRANI-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.12
Rot. Bonds6

About 2-ethyl-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one

2-ethyl-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one (PubChem CID 136938547) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-ethyl-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one
PubChem CID136938547
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-ethyl-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NC(CC)(CO)CO)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O3/c1-3-8-12-9(5-10(17)13-8)14-11(4-2,6-15)7-16/h5,15-16H,3-4,6-7H2,1-2H3,(H2,12,13,14,17)
InChIKeyQSISVGGMLFRANI-UHFFFAOYSA-N
XLogP-0.12
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136730424
4-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136730475
2-ethyl-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136849673
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136849674
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136849675
2-cyclopropyl-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one
CID 136866842
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136866843
2-ethyl-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870594
4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136870595
4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136870596
2-ethyl-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870606
4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136870607

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one (CID 136938547) is 2-ethyl-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one is CCc1nc(NC(CC)(CO)CO)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one?
The InChIKey is QSISVGGMLFRANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-8-12-9(5-10(17)13-8)14-11(4-2,6-15)7-16/h5,15-16H,3-4,6-7H2,1-2H3,(H2,12,13,14,17).
What are the key properties of 2-ethyl-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one?
2-ethyl-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one has a molecular weight of 241.29 g/mol, XLogP of -0.12, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136938547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).