2-(1-aminopropan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

C9H15N3O2 — CID 63554820

IUPAC2-(1-aminopropan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C(C)CN)[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-3-6-8(13)11-7(5(2)4-10)12-9(6)14/h5H,3-4,10H2,1-2H3,(H2,11,12,13,14)
InChIKeyHOQDULZNIGCCMJ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.10
Rot. Bonds3

About 2-(1-aminopropan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

2-(1-aminopropan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 63554820) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID63554820
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(1-aminopropan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C(C)CN)[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-3-6-8(13)11-7(5(2)4-10)12-9(6)14/h5H,3-4,10H2,1-2H3,(H2,11,12,13,14)
InChIKeyHOQDULZNIGCCMJ-UHFFFAOYSA-N
XLogP0.10
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-aminopropan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 63554820) is 2-(1-aminopropan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-aminopropan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCc1c(O)nc(C(C)CN)[nH]c1=O.
What is the InChIKey of 2-(1-aminopropan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is HOQDULZNIGCCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-6-8(13)11-7(5(2)4-10)12-9(6)14/h5H,3-4,10H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 2-(1-aminopropan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
2-(1-aminopropan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 63554820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).