6-[(E)-butylideneamino]-1H-pyrimidin-2-one

C8H11N3O — CID 70688613

IUPAC6-[(E)-butylideneamino]-1H-pyrimidin-2-one
SMILESCCC/C=N/c1ccnc(=O)[nH]1
InChIInChI=1S/C8H11N3O/c1-2-3-5-9-7-4-6-10-8(12)11-7/h4-6H,2-3H2,1H3,(H,10,11,12)/b9-5+
InChIKeyPRXDWPZDBOLVDH-WEVVVXLNSA-N
MW165.20 g/mol
LogP1.27
Rot. Bonds3

About 6-[(E)-butylideneamino]-1H-pyrimidin-2-one

6-[(E)-butylideneamino]-1H-pyrimidin-2-one (PubChem CID 70688613) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 6-[(E)-butylideneamino]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(E)-butylideneamino]-1H-pyrimidin-2-one
PubChem CID70688613
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name6-[(E)-butylideneamino]-1H-pyrimidin-2-one
SMILESCCC/C=N/c1ccnc(=O)[nH]1
InChIInChI=1S/C8H11N3O/c1-2-3-5-9-7-4-6-10-8(12)11-7/h4-6H,2-3H2,1H3,(H,10,11,12)/b9-5+
InChIKeyPRXDWPZDBOLVDH-WEVVVXLNSA-N
XLogP1.27
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Cytosine
CID 597
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
Flucytosine & Cytosine
CID 456558
6-[(E)-propylideneamino]-1H-pyrimidin-2-one
CID 70686508
6-Amino(~15~N_2_)pyrimidin-2(1H)-one
CID 66995323
6-[(E)-ethylideneamino]-1H-pyrimidin-2-one
CID 70692826
6-(cyclopentylideneamino)-1H-pyrimidin-2-one
CID 53751536
6-(fluoroamino)-1H-pyrimidin-2-one
CID 54148239
Cytosine monohydrate
CID 57461243
n,n-Dimethylcytosine
CID 13027211

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-butylideneamino]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(E)-butylideneamino]-1H-pyrimidin-2-one (CID 70688613) is 6-[(E)-butylideneamino]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(E)-butylideneamino]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(E)-butylideneamino]-1H-pyrimidin-2-one is CCC/C=N/c1ccnc(=O)[nH]1.
What is the InChIKey of 6-[(E)-butylideneamino]-1H-pyrimidin-2-one?
The InChIKey is PRXDWPZDBOLVDH-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H11N3O/c1-2-3-5-9-7-4-6-10-8(12)11-7/h4-6H,2-3H2,1H3,(H,10,11,12)/b9-5+.
What are the key properties of 6-[(E)-butylideneamino]-1H-pyrimidin-2-one?
6-[(E)-butylideneamino]-1H-pyrimidin-2-one has a molecular weight of 165.20 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-butylideneamino]-1H-pyrimidin-2-one is sourced from PubChem (CID 70688613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).