6-[(1S)-1-aminoethyl]-1H-pyrimidin-2-one

C6H9N3O — CID 82418379

IUPAC6-[(1S)-1-aminoethyl]-1H-pyrimidin-2-one
SMILESC[C@H](N)c1ccnc(=O)[nH]1
InChIInChI=1S/C6H9N3O/c1-4(7)5-2-3-8-6(10)9-5/h2-4H,7H2,1H3,(H,8,9,10)/t4-/m0/s1
InChIKeyDSNBJBSTPHRWSI-BYPYZUCNSA-N
MW139.16 g/mol
LogP-0.21
Rot. Bonds1

About 6-[(1S)-1-aminoethyl]-1H-pyrimidin-2-one

6-[(1S)-1-aminoethyl]-1H-pyrimidin-2-one (PubChem CID 82418379) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 6-[(1S)-1-aminoethyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(1S)-1-aminoethyl]-1H-pyrimidin-2-one
PubChem CID82418379
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name6-[(1S)-1-aminoethyl]-1H-pyrimidin-2-one
SMILESC[C@H](N)c1ccnc(=O)[nH]1
InChIInChI=1S/C6H9N3O/c1-4(7)5-2-3-8-6(10)9-5/h2-4H,7H2,1H3,(H,8,9,10)/t4-/m0/s1
InChIKeyDSNBJBSTPHRWSI-BYPYZUCNSA-N
XLogP-0.21
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-Aminoethyl)pyrimidin-2-ol hydrochloride
CID 137951902
4-Ethyl-2-pyrimidinol
CID 49758448
4-(2-Aminoethyl)pyrimidin-2-ol
CID 82593993
6-(1-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83848427
6-(1-fluoroethyl)-1H-pyrimidin-2-one
CID 147189139
6-prop-2-enyl-1H-pyrimidin-2-one
CID 19858299
4-Isopropylpyrimidin-2-ol
CID 21305445
2-Hydroxy-4-(n-propyl)pyrimidine
CID 49758447
6-[2-(dimethylamino)ethyl]-1H-pyrimidin-2-one
CID 54057119
4-Aminomethyl-pyrimidin-2-OL
CID 71360335
6-ethyl-3-hydroxy-1H-pyrimidin-3-ium-2-one
CID 123473571
6-ethyl-1H-pyrimidin-2-one;molecular hydrogen
CID 144564540

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminoethyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(1S)-1-aminoethyl]-1H-pyrimidin-2-one (CID 82418379) is 6-[(1S)-1-aminoethyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(1S)-1-aminoethyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(1S)-1-aminoethyl]-1H-pyrimidin-2-one is C[C@H](N)c1ccnc(=O)[nH]1.
What is the InChIKey of 6-[(1S)-1-aminoethyl]-1H-pyrimidin-2-one?
The InChIKey is DSNBJBSTPHRWSI-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4(7)5-2-3-8-6(10)9-5/h2-4H,7H2,1H3,(H,8,9,10)/t4-/m0/s1.
What are the key properties of 6-[(1S)-1-aminoethyl]-1H-pyrimidin-2-one?
6-[(1S)-1-aminoethyl]-1H-pyrimidin-2-one has a molecular weight of 139.16 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-aminoethyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 82418379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).