5-ethyl-4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one

C10H17N3O2 — CID 63553562

IUPAC5-ethyl-4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(CNC(C)C)[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-4-7-9(14)12-8(13-10(7)15)5-11-6(2)3/h6,11H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyIEVXMGRPMYBMFZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.54
Rot. Bonds4

About 5-ethyl-4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one

5-ethyl-4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 63553562) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
PubChem CID63553562
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-ethyl-4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(CNC(C)C)[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-4-7-9(14)12-8(13-10(7)15)5-11-6(2)3/h6,11H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyIEVXMGRPMYBMFZ-UHFFFAOYSA-N
XLogP0.54
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one (CID 63553562) is 5-ethyl-4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one is CCc1c(O)nc(CNC(C)C)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is IEVXMGRPMYBMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-7-9(14)12-8(13-10(7)15)5-11-6(2)3/h6,11H,4-5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 5-ethyl-4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 63553562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).