5-amino-4-(prop-2-enylamino)-1H-pyrimidin-6-one

C7H10N4O — CID 135786484

IUPAC5-amino-4-(prop-2-enylamino)-1H-pyrimidin-6-one
SMILESC=CCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C7H10N4O/c1-2-3-9-6-5(8)7(12)11-4-10-6/h2,4H,1,3,8H2,(H2,9,10,11,12)
InChIKeyAHYDAJFLWUQHAK-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.05
Rot. Bonds3

About 5-amino-4-(prop-2-enylamino)-1H-pyrimidin-6-one

5-amino-4-(prop-2-enylamino)-1H-pyrimidin-6-one (PubChem CID 135786484) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-amino-4-(prop-2-enylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(prop-2-enylamino)-1H-pyrimidin-6-one
PubChem CID135786484
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name5-amino-4-(prop-2-enylamino)-1H-pyrimidin-6-one
SMILESC=CCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C7H10N4O/c1-2-3-9-6-5(8)7(12)11-4-10-6/h2,4H,1,3,8H2,(H2,9,10,11,12)
InChIKeyAHYDAJFLWUQHAK-UHFFFAOYSA-N
XLogP-0.05
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(prop-2-enylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(prop-2-enylamino)-1H-pyrimidin-6-one (CID 135786484) is 5-amino-4-(prop-2-enylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(prop-2-enylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(prop-2-enylamino)-1H-pyrimidin-6-one is C=CCNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(prop-2-enylamino)-1H-pyrimidin-6-one?
The InChIKey is AHYDAJFLWUQHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-2-3-9-6-5(8)7(12)11-4-10-6/h2,4H,1,3,8H2,(H2,9,10,11,12).
What are the key properties of 5-amino-4-(prop-2-enylamino)-1H-pyrimidin-6-one?
5-amino-4-(prop-2-enylamino)-1H-pyrimidin-6-one has a molecular weight of 166.18 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(prop-2-enylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135786484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).