2-ethyl-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one

C10H17N3O2 — CID 136973933

IUPAC2-ethyl-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NC(CC)CO)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-3-7(6-14)11-9-5-10(15)13-8(4-2)12-9/h5,7,14H,3-4,6H2,1-2H3,(H2,11,12,13,15)
InChIKeyYPINLAXEBOVHLY-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.52
Rot. Bonds5

About 2-ethyl-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one

2-ethyl-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136973933) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-ethyl-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136973933
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-ethyl-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NC(CC)CO)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-3-7(6-14)11-9-5-10(15)13-8(4-2)12-9/h5,7,14H,3-4,6H2,1-2H3,(H2,11,12,13,15)
InChIKeyYPINLAXEBOVHLY-UHFFFAOYSA-N
XLogP0.52
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one (CID 136973933) is 2-ethyl-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one is CCc1nc(NC(CC)CO)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is YPINLAXEBOVHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-7(6-14)11-9-5-10(15)13-8(4-2)12-9/h5,7,14H,3-4,6H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 2-ethyl-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one?
2-ethyl-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).