4-amino-1-(1-aminoethyl)pyrimidin-2-one

C6H10N4O — CID 19958371

IUPAC4-amino-1-(1-aminoethyl)pyrimidin-2-one
SMILESCC(N)n1ccc(N)nc1=O
InChIInChI=1S/C6H10N4O/c1-4(7)10-3-2-5(8)9-6(10)11/h2-4H,7H2,1H3,(H2,8,9,11)
InChIKeyKUGNLYKEADLABP-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.70
Rot. Bonds1

About 4-amino-1-(1-aminoethyl)pyrimidin-2-one

4-amino-1-(1-aminoethyl)pyrimidin-2-one (PubChem CID 19958371) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-amino-1-(1-aminoethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(1-aminoethyl)pyrimidin-2-one
PubChem CID19958371
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name4-amino-1-(1-aminoethyl)pyrimidin-2-one
SMILESCC(N)n1ccc(N)nc1=O
InChIInChI=1S/C6H10N4O/c1-4(7)10-3-2-5(8)9-6(10)11/h2-4H,7H2,1H3,(H2,8,9,11)
InChIKeyKUGNLYKEADLABP-UHFFFAOYSA-N
XLogP-0.70
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1-aminoethyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(1-aminoethyl)pyrimidin-2-one (CID 19958371) is 4-amino-1-(1-aminoethyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(1-aminoethyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(1-aminoethyl)pyrimidin-2-one is CC(N)n1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-(1-aminoethyl)pyrimidin-2-one?
The InChIKey is KUGNLYKEADLABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-4(7)10-3-2-5(8)9-6(10)11/h2-4H,7H2,1H3,(H2,8,9,11).
What are the key properties of 4-amino-1-(1-aminoethyl)pyrimidin-2-one?
4-amino-1-(1-aminoethyl)pyrimidin-2-one has a molecular weight of 154.17 g/mol, XLogP of -0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1-aminoethyl)pyrimidin-2-one is sourced from PubChem (CID 19958371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).