6-(propylideneamino)-1H-pyrimidin-2-one

C7H9N3O — CID 67418005

IUPAC6-(propylideneamino)-1H-pyrimidin-2-one
SMILESCCC=Nc1ccnc(=O)[nH]1
InChIInChI=1S/C7H9N3O/c1-2-4-8-6-3-5-9-7(11)10-6/h3-5H,2H2,1H3,(H,9,10,11)
InChIKeySPQHXGCGDUBTSV-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.88
Rot. Bonds2

About 6-(propylideneamino)-1H-pyrimidin-2-one

6-(propylideneamino)-1H-pyrimidin-2-one (PubChem CID 67418005) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 6-(propylideneamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(propylideneamino)-1H-pyrimidin-2-one
PubChem CID67418005
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name6-(propylideneamino)-1H-pyrimidin-2-one
SMILESCCC=Nc1ccnc(=O)[nH]1
InChIInChI=1S/C7H9N3O/c1-2-4-8-6-3-5-9-7(11)10-6/h3-5H,2H2,1H3,(H,9,10,11)
InChIKeySPQHXGCGDUBTSV-UHFFFAOYSA-N
XLogP0.88
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(propylideneamino)-1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cytosine
CID 597
3-Methylcytosine
CID 140523
4-(Ethylamino)pyrimidin-2-ol
CID 587094
6-(Methylamino)-2(1H)-pyrimidinone
CID 122004
6-(~15~N)Amino(2,6-~13~C_2_,~15~N_2_)pyrimidin-2(1H)-one
CID 66995256
1-methyl-3-(2-oxo-3H-pyrimidin-4-yl)urea
CID 339745
6-[(E)-propylideneamino]-1H-pyrimidin-2-one
CID 70686508
6-Amino(~15~N_2_)pyrimidin-2(1H)-one
CID 66995323
6-[(E)-butylideneamino]-1H-pyrimidin-2-one
CID 70688613
6-[(E)-ethylideneamino]-1H-pyrimidin-2-one
CID 70692826
N(4)-Methoxycytosine
CID 161319
Methanimidamide, N'-(1,2-dihydro-2-oxo-4-pyrimidinyl)-N,N-dimethyl-
CID 367650

Frequently Asked Questions

What is the IUPAC name of 6-(propylideneamino)-1H-pyrimidin-2-one?
The IUPAC name of 6-(propylideneamino)-1H-pyrimidin-2-one (CID 67418005) is 6-(propylideneamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(propylideneamino)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(propylideneamino)-1H-pyrimidin-2-one is CCC=Nc1ccnc(=O)[nH]1.
What is the InChIKey of 6-(propylideneamino)-1H-pyrimidin-2-one?
The InChIKey is SPQHXGCGDUBTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-2-4-8-6-3-5-9-7(11)10-6/h3-5H,2H2,1H3,(H,9,10,11).
What are the key properties of 6-(propylideneamino)-1H-pyrimidin-2-one?
6-(propylideneamino)-1H-pyrimidin-2-one has a molecular weight of 151.17 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propylideneamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 67418005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).