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

C10H17N3O3 — CID 136870606

IUPAC2-ethyl-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NC(CO)COC)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O3/c1-3-8-12-9(4-10(15)13-8)11-7(5-14)6-16-2/h4,7,14H,3,5-6H2,1-2H3,(H2,11,12,13,15)
InChIKeyPWJXGDBLTDKYHO-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.25
Rot. Bonds6

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

2-ethyl-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136870606) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-ethyl-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136870606
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-ethyl-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NC(CO)COC)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O3/c1-3-8-12-9(4-10(15)13-8)11-7(5-14)6-16-2/h4,7,14H,3,5-6H2,1-2H3,(H2,11,12,13,15)
InChIKeyPWJXGDBLTDKYHO-UHFFFAOYSA-N
XLogP-0.25
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one (CID 136870606) is 2-ethyl-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one is CCc1nc(NC(CO)COC)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is PWJXGDBLTDKYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-3-8-12-9(4-10(15)13-8)11-7(5-14)6-16-2/h4,7,14H,3,5-6H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 2-ethyl-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one?
2-ethyl-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 227.26 g/mol, XLogP of -0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136870606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).