5-[(4S)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one

C10H15N3O — CID 68596878

IUPAC5-[(4S)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one
SMILESCN[C@@H](C)CC=Cc1cnc(=O)[nH]c1
InChIInChI=1S/C10H15N3O/c1-8(11-2)4-3-5-9-6-12-10(14)13-7-9/h3,5-8,11H,4H2,1-2H3,(H,12,13,14)/t8-/m0/s1
InChIKeyRORAEFJOOUFZCQ-QMMMGPOBSA-N
MW193.25 g/mol
LogP0.78
Rot. Bonds4

About 5-[(4S)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one

5-[(4S)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one (PubChem CID 68596878) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-[(4S)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[(4S)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one
PubChem CID68596878
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-[(4S)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one
SMILESCN[C@@H](C)CC=Cc1cnc(=O)[nH]c1
InChIInChI=1S/C10H15N3O/c1-8(11-2)4-3-5-9-6-12-10(14)13-7-9/h3,5-8,11H,4H2,1-2H3,(H,12,13,14)/t8-/m0/s1
InChIKeyRORAEFJOOUFZCQ-QMMMGPOBSA-N
XLogP0.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4S)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one?
The IUPAC name of 5-[(4S)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one (CID 68596878) is 5-[(4S)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[(4S)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one?
The canonical SMILES for 5-[(4S)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one is CN[C@@H](C)CC=Cc1cnc(=O)[nH]c1.
What is the InChIKey of 5-[(4S)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one?
The InChIKey is RORAEFJOOUFZCQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8(11-2)4-3-5-9-6-12-10(14)13-7-9/h3,5-8,11H,4H2,1-2H3,(H,12,13,14)/t8-/m0/s1.
What are the key properties of 5-[(4S)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one?
5-[(4S)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4S)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 68596878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).