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

C6H9N3O — CID 587094

IUPAC6-(ethylamino)-1H-pyrimidin-2-one
SMILESCCNc1ccnc(=O)[nH]1
InChIInChI=1S/C6H9N3O/c1-2-7-5-3-4-8-6(10)9-5/h3-4H,2H2,1H3,(H2,7,8,9,10)
InChIKeyTVICROIWXBFQEL-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.20
Rot. Bonds2

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

6-(ethylamino)-1H-pyrimidin-2-one (PubChem CID 587094) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 6-(ethylamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(ethylamino)-1H-pyrimidin-2-one
PubChem CID587094
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name6-(ethylamino)-1H-pyrimidin-2-one
SMILESCCNc1ccnc(=O)[nH]1
InChIInChI=1S/C6H9N3O/c1-2-7-5-3-4-8-6(10)9-5/h3-4H,2H2,1H3,(H2,7,8,9,10)
InChIKeyTVICROIWXBFQEL-UHFFFAOYSA-N
XLogP0.20
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-1H-pyrimidin-2-one?
The IUPAC name of 6-(ethylamino)-1H-pyrimidin-2-one (CID 587094) is 6-(ethylamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(ethylamino)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(ethylamino)-1H-pyrimidin-2-one is CCNc1ccnc(=O)[nH]1.
What is the InChIKey of 6-(ethylamino)-1H-pyrimidin-2-one?
The InChIKey is TVICROIWXBFQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-7-5-3-4-8-6(10)9-5/h3-4H,2H2,1H3,(H2,7,8,9,10).
What are the key properties of 6-(ethylamino)-1H-pyrimidin-2-one?
6-(ethylamino)-1H-pyrimidin-2-one has a molecular weight of 139.16 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 587094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).