2-imino-5-propan-2-yl-5H-pyrimidin-4-one

C7H11N3O — CID 140811076

IUPAC2-imino-5-propan-2-yl-5H-pyrimidin-4-one
SMILES[H]/N=C1\N=CC(C(C)C)C(=O)N1
InChIInChI=1S/C7H11N3O/c1-4(2)5-3-9-7(8)10-6(5)11/h3-5H,1-2H3,(H2,8,10,11)
InChIKeyCVTLEPOMTYSMAX-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.39
Rot. Bonds1

About 2-imino-5-propan-2-yl-5H-pyrimidin-4-one

2-imino-5-propan-2-yl-5H-pyrimidin-4-one (PubChem CID 140811076) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 2-imino-5-propan-2-yl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-imino-5-propan-2-yl-5H-pyrimidin-4-one
PubChem CID140811076
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name2-imino-5-propan-2-yl-5H-pyrimidin-4-one
SMILES[H]/N=C1\N=CC(C(C)C)C(=O)N1
InChIInChI=1S/C7H11N3O/c1-4(2)5-3-9-7(8)10-6(5)11/h3-5H,1-2H3,(H2,8,10,11)
InChIKeyCVTLEPOMTYSMAX-UHFFFAOYSA-N
XLogP0.39
TPSA65.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imino-5-propan-2-yl-5H-pyrimidin-4-one?
The IUPAC name of 2-imino-5-propan-2-yl-5H-pyrimidin-4-one (CID 140811076) is 2-imino-5-propan-2-yl-5H-pyrimidin-4-one.
What is the SMILES notation for 2-imino-5-propan-2-yl-5H-pyrimidin-4-one?
The canonical SMILES for 2-imino-5-propan-2-yl-5H-pyrimidin-4-one is [H]/N=C1\N=CC(C(C)C)C(=O)N1.
What is the InChIKey of 2-imino-5-propan-2-yl-5H-pyrimidin-4-one?
The InChIKey is CVTLEPOMTYSMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-4(2)5-3-9-7(8)10-6(5)11/h3-5H,1-2H3,(H2,8,10,11).
What are the key properties of 2-imino-5-propan-2-yl-5H-pyrimidin-4-one?
2-imino-5-propan-2-yl-5H-pyrimidin-4-one has a molecular weight of 153.19 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-5-propan-2-yl-5H-pyrimidin-4-one is sourced from PubChem (CID 140811076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).