5-amino-4-(ethenylamino)-1H-pyrimidin-6-one

C6H8N4O — CID 137148874

IUPAC5-amino-4-(ethenylamino)-1H-pyrimidin-6-one
SMILESC=CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C6H8N4O/c1-2-8-5-4(7)6(11)10-3-9-5/h2-3H,1,7H2,(H2,8,9,10,11)
InChIKeyKDKSSKLSWIZPMT-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.09
Rot. Bonds2

About 5-amino-4-(ethenylamino)-1H-pyrimidin-6-one

5-amino-4-(ethenylamino)-1H-pyrimidin-6-one (PubChem CID 137148874) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 5-amino-4-(ethenylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(ethenylamino)-1H-pyrimidin-6-one
PubChem CID137148874
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name5-amino-4-(ethenylamino)-1H-pyrimidin-6-one
SMILESC=CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C6H8N4O/c1-2-8-5-4(7)6(11)10-3-9-5/h2-3H,1,7H2,(H2,8,9,10,11)
InChIKeyKDKSSKLSWIZPMT-UHFFFAOYSA-N
XLogP-0.09
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(ethenylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(ethenylamino)-1H-pyrimidin-6-one (CID 137148874) is 5-amino-4-(ethenylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(ethenylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(ethenylamino)-1H-pyrimidin-6-one is C=CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(ethenylamino)-1H-pyrimidin-6-one?
The InChIKey is KDKSSKLSWIZPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-2-8-5-4(7)6(11)10-3-9-5/h2-3H,1,7H2,(H2,8,9,10,11).
What are the key properties of 5-amino-4-(ethenylamino)-1H-pyrimidin-6-one?
5-amino-4-(ethenylamino)-1H-pyrimidin-6-one has a molecular weight of 152.16 g/mol, XLogP of -0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(ethenylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137148874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).