6-[1-(methylideneamino)ethyl]-1H-pyrimidin-2-one

C7H9N3O — CID 163979397

IUPAC6-[1-(methylideneamino)ethyl]-1H-pyrimidin-2-one
SMILESC=NC(C)c1ccnc(=O)[nH]1
InChIInChI=1S/C7H9N3O/c1-5(8-2)6-3-4-9-7(11)10-6/h3-5H,2H2,1H3,(H,9,10,11)
InChIKeySXASFVZTOZXLIU-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.53
Rot. Bonds2

About 6-[1-(methylideneamino)ethyl]-1H-pyrimidin-2-one

6-[1-(methylideneamino)ethyl]-1H-pyrimidin-2-one (PubChem CID 163979397) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 6-[1-(methylideneamino)ethyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[1-(methylideneamino)ethyl]-1H-pyrimidin-2-one
PubChem CID163979397
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name6-[1-(methylideneamino)ethyl]-1H-pyrimidin-2-one
SMILESC=NC(C)c1ccnc(=O)[nH]1
InChIInChI=1S/C7H9N3O/c1-5(8-2)6-3-4-9-7(11)10-6/h3-5H,2H2,1H3,(H,9,10,11)
InChIKeySXASFVZTOZXLIU-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
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

4-(2-Aminoethyl)pyrimidin-2-ol hydrochloride
CID 137951902
4-Ethyl-2-pyrimidinol
CID 49758448
4-(2-Aminoethyl)pyrimidin-2-ol
CID 82593993
6-(1-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83848427
6-(1-fluoroethyl)-1H-pyrimidin-2-one
CID 147189139
6-prop-2-enyl-1H-pyrimidin-2-one
CID 19858299
4-Isopropylpyrimidin-2-ol
CID 21305445
6-butyl-1H-pyrimidin-2-one
CID 21740171
2-Hydroxy-4-(n-propyl)pyrimidine
CID 49758447
6-[2-(dimethylamino)ethyl]-1H-pyrimidin-2-one
CID 54057119
6-ethyl-3-hydroxy-1H-pyrimidin-3-ium-2-one
CID 123473571
6-ethyl-1H-pyrimidin-2-one;methanol
CID 142275143

Frequently Asked Questions

What is the IUPAC name of 6-[1-(methylideneamino)ethyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[1-(methylideneamino)ethyl]-1H-pyrimidin-2-one (CID 163979397) is 6-[1-(methylideneamino)ethyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[1-(methylideneamino)ethyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[1-(methylideneamino)ethyl]-1H-pyrimidin-2-one is C=NC(C)c1ccnc(=O)[nH]1.
What is the InChIKey of 6-[1-(methylideneamino)ethyl]-1H-pyrimidin-2-one?
The InChIKey is SXASFVZTOZXLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-5(8-2)6-3-4-9-7(11)10-6/h3-5H,2H2,1H3,(H,9,10,11).
What are the key properties of 6-[1-(methylideneamino)ethyl]-1H-pyrimidin-2-one?
6-[1-(methylideneamino)ethyl]-1H-pyrimidin-2-one has a molecular weight of 151.17 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(methylideneamino)ethyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 163979397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).