6-amino-5-[(E)-4-aminobut-1-enyl]-1H-pyrimidin-2-one

C8H12N4O — CID 18970277

IUPAC6-amino-5-[(E)-4-aminobut-1-enyl]-1H-pyrimidin-2-one
SMILESNCC/C=C/c1cnc(=O)[nH]c1N
InChIInChI=1S/C8H12N4O/c9-4-2-1-3-6-5-11-8(13)12-7(6)10/h1,3,5H,2,4,9H2,(H3,10,11,12,13)/b3-1+
InChIKeyFNRPGPVNEHGWMO-HNQUOIGGSA-N
MW180.21 g/mol
LogP-0.29
Rot. Bonds3

About 6-amino-5-[(E)-4-aminobut-1-enyl]-1H-pyrimidin-2-one

6-amino-5-[(E)-4-aminobut-1-enyl]-1H-pyrimidin-2-one (PubChem CID 18970277) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 6-amino-5-[(E)-4-aminobut-1-enyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-[(E)-4-aminobut-1-enyl]-1H-pyrimidin-2-one
PubChem CID18970277
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name6-amino-5-[(E)-4-aminobut-1-enyl]-1H-pyrimidin-2-one
SMILESNCC/C=C/c1cnc(=O)[nH]c1N
InChIInChI=1S/C8H12N4O/c9-4-2-1-3-6-5-11-8(13)12-7(6)10/h1,3,5H,2,4,9H2,(H3,10,11,12,13)/b3-1+
InChIKeyFNRPGPVNEHGWMO-HNQUOIGGSA-N
XLogP-0.29
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(E)-4-aminobut-1-enyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-[(E)-4-aminobut-1-enyl]-1H-pyrimidin-2-one (CID 18970277) is 6-amino-5-[(E)-4-aminobut-1-enyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-[(E)-4-aminobut-1-enyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-[(E)-4-aminobut-1-enyl]-1H-pyrimidin-2-one is NCC/C=C/c1cnc(=O)[nH]c1N.
What is the InChIKey of 6-amino-5-[(E)-4-aminobut-1-enyl]-1H-pyrimidin-2-one?
The InChIKey is FNRPGPVNEHGWMO-HNQUOIGGSA-N. The full InChI is InChI=1S/C8H12N4O/c9-4-2-1-3-6-5-11-8(13)12-7(6)10/h1,3,5H,2,4,9H2,(H3,10,11,12,13)/b3-1+.
What are the key properties of 6-amino-5-[(E)-4-aminobut-1-enyl]-1H-pyrimidin-2-one?
6-amino-5-[(E)-4-aminobut-1-enyl]-1H-pyrimidin-2-one has a molecular weight of 180.21 g/mol, XLogP of -0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(E)-4-aminobut-1-enyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 18970277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).