1-[3-(cyclopropylamino)propyl]pyrimidin-2-one

C10H15N3O — CID 61386970

IUPAC1-[3-(cyclopropylamino)propyl]pyrimidin-2-one
SMILESO=c1ncccn1CCCNC1CC1
InChIInChI=1S/C10H15N3O/c14-10-12-6-2-8-13(10)7-1-5-11-9-3-4-9/h2,6,8-9,11H,1,3-5,7H2
InChIKeyRKCPUFFBGRMGAZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.39
Rot. Bonds5

About 1-[3-(cyclopropylamino)propyl]pyrimidin-2-one

1-[3-(cyclopropylamino)propyl]pyrimidin-2-one (PubChem CID 61386970) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)propyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)propyl]pyrimidin-2-one
PubChem CID61386970
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-[3-(cyclopropylamino)propyl]pyrimidin-2-one
SMILESO=c1ncccn1CCCNC1CC1
InChIInChI=1S/C10H15N3O/c14-10-12-6-2-8-13(10)7-1-5-11-9-3-4-9/h2,6,8-9,11H,1,3-5,7H2
InChIKeyRKCPUFFBGRMGAZ-UHFFFAOYSA-N
XLogP0.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)propyl]pyrimidin-2-one?
The IUPAC name of 1-[3-(cyclopropylamino)propyl]pyrimidin-2-one (CID 61386970) is 1-[3-(cyclopropylamino)propyl]pyrimidin-2-one.
What is the SMILES notation for 1-[3-(cyclopropylamino)propyl]pyrimidin-2-one?
The canonical SMILES for 1-[3-(cyclopropylamino)propyl]pyrimidin-2-one is O=c1ncccn1CCCNC1CC1.
What is the InChIKey of 1-[3-(cyclopropylamino)propyl]pyrimidin-2-one?
The InChIKey is RKCPUFFBGRMGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c14-10-12-6-2-8-13(10)7-1-5-11-9-3-4-9/h2,6,8-9,11H,1,3-5,7H2.
What are the key properties of 1-[3-(cyclopropylamino)propyl]pyrimidin-2-one?
1-[3-(cyclopropylamino)propyl]pyrimidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)propyl]pyrimidin-2-one is sourced from PubChem (CID 61386970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).