1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrimidin-2-one

C11H17N3O — CID 103071590

IUPAC1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrimidin-2-one
SMILESC=C(CNC(C)C)Cn1cccnc1=O
InChIInChI=1S/C11H17N3O/c1-9(2)13-7-10(3)8-14-6-4-5-12-11(14)15/h4-6,9,13H,3,7-8H2,1-2H3
InChIKeyRSYYKNYVBRMYOI-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.80
Rot. Bonds5

About 1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrimidin-2-one

1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrimidin-2-one (PubChem CID 103071590) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrimidin-2-one
PubChem CID103071590
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrimidin-2-one
SMILESC=C(CNC(C)C)Cn1cccnc1=O
InChIInChI=1S/C11H17N3O/c1-9(2)13-7-10(3)8-14-6-4-5-12-11(14)15/h4-6,9,13H,3,7-8H2,1-2H3
InChIKeyRSYYKNYVBRMYOI-UHFFFAOYSA-N
XLogP0.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrimidin-2-one?
The IUPAC name of 1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrimidin-2-one (CID 103071590) is 1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrimidin-2-one is C=C(CNC(C)C)Cn1cccnc1=O.
What is the InChIKey of 1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrimidin-2-one?
The InChIKey is RSYYKNYVBRMYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9(2)13-7-10(3)8-14-6-4-5-12-11(14)15/h4-6,9,13H,3,7-8H2,1-2H3.
What are the key properties of 1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrimidin-2-one?
1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrimidin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrimidin-2-one is sourced from PubChem (CID 103071590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).