5-(4-aminobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one

C8H11N3O2 — CID 170486632

IUPAC5-(4-aminobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESNCCC=Cc1c(O)nc[nH]c1=O
InChIInChI=1S/C8H11N3O2/c9-4-2-1-3-6-7(12)10-5-11-8(6)13/h1,3,5H,2,4,9H2,(H2,10,11,12,13)
InChIKeyZHIXSUDKEGFZMQ-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.16
Rot. Bonds3

About 5-(4-aminobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one

5-(4-aminobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 170486632) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is 5-(4-aminobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-aminobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID170486632
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC Name5-(4-aminobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESNCCC=Cc1c(O)nc[nH]c1=O
InChIInChI=1S/C8H11N3O2/c9-4-2-1-3-6-7(12)10-5-11-8(6)13/h1,3,5H,2,4,9H2,(H2,10,11,12,13)
InChIKeyZHIXSUDKEGFZMQ-UHFFFAOYSA-N
XLogP-0.16
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-aminobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one (CID 170486632) is 5-(4-aminobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-aminobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-aminobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one is NCCC=Cc1c(O)nc[nH]c1=O.
What is the InChIKey of 5-(4-aminobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is ZHIXSUDKEGFZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-4-2-1-3-6-7(12)10-5-11-8(6)13/h1,3,5H,2,4,9H2,(H2,10,11,12,13).
What are the key properties of 5-(4-aminobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one?
5-(4-aminobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 181.20 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 170486632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).