2-(2-aminoethylamino)-1H-pyrimidin-6-one

C6H10N4O — CID 15079287

IUPAC2-(2-aminoethylamino)-1H-pyrimidin-6-one
SMILESNCCNc1nccc(=O)[nH]1
InChIInChI=1S/C6H10N4O/c7-2-4-9-6-8-3-1-5(11)10-6/h1,3H,2,4,7H2,(H2,8,9,10,11)
InChIKeyMNWPYPKODATLDJ-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.86
Rot. Bonds3

About 2-(2-aminoethylamino)-1H-pyrimidin-6-one

2-(2-aminoethylamino)-1H-pyrimidin-6-one (PubChem CID 15079287) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminoethylamino)-1H-pyrimidin-6-one
PubChem CID15079287
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name2-(2-aminoethylamino)-1H-pyrimidin-6-one
SMILESNCCNc1nccc(=O)[nH]1
InChIInChI=1S/C6H10N4O/c7-2-4-9-6-8-3-1-5(11)10-6/h1,3H,2,4,7H2,(H2,8,9,10,11)
InChIKeyMNWPYPKODATLDJ-UHFFFAOYSA-N
XLogP-0.86
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Isocytosine
CID 66950
2-(Dimethylamino)pyrimidin-4-ol
CID 817200
6-Amino-2-(methylamino)pyrimidin-4-ol
CID 135455590
2-Amino-6-(methylamino)pyrimidin-4-ol
CID 135577492
N-(6-Oxo-1,6-dihydropyrimidin-2-yl)urea
CID 22227528
Pyrimidine, 4-hydroxy-2-methylamino-
CID 14803475
Ctk1F7610
CID 12022219
n-(5-Amino-6-oxo-1,6-dihydropyrimidin-2-yl)acetamide
CID 252084
4-Hydroxy-2-isopropylamino-pyrimidine
CID 1404214
2-(butylamino)-1H-pyrimidin-6-one
CID 2069400
(6-Oxo-1,6-dihydropyrimidin-2-yl)cyanamide
CID 12408484
Acetamide,N-(1,4-dihydro-4-oxo-pyrimidin-2-YL)-
CID 45083030

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-aminoethylamino)-1H-pyrimidin-6-one (CID 15079287) is 2-(2-aminoethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminoethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-aminoethylamino)-1H-pyrimidin-6-one is NCCNc1nccc(=O)[nH]1.
What is the InChIKey of 2-(2-aminoethylamino)-1H-pyrimidin-6-one?
The InChIKey is MNWPYPKODATLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c7-2-4-9-6-8-3-1-5(11)10-6/h1,3H,2,4,7H2,(H2,8,9,10,11).
What are the key properties of 2-(2-aminoethylamino)-1H-pyrimidin-6-one?
2-(2-aminoethylamino)-1H-pyrimidin-6-one has a molecular weight of 154.17 g/mol, XLogP of -0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 15079287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).