2-cyclopropyl-4-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-pyrimidin-6-one

C13H16N4OS — CID 138032932

IUPAC2-cyclopropyl-4-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-pyrimidin-6-one
SMILESCC(NCc1cc(=O)[nH]c(C2CC2)n1)c1cscn1
InChIInChI=1S/C13H16N4OS/c1-8(11-6-19-7-15-11)14-5-10-4-12(18)17-13(16-10)9-2-3-9/h4,6-9,14H,2-3,5H2,1H3,(H,16,17,18)
InChIKeyLFJPEHICSRKOHQ-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.95
Rot. Bonds5

About 2-cyclopropyl-4-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-pyrimidin-6-one

2-cyclopropyl-4-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-pyrimidin-6-one (PubChem CID 138032932) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-pyrimidin-6-one
PubChem CID138032932
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name2-cyclopropyl-4-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-pyrimidin-6-one
SMILESCC(NCc1cc(=O)[nH]c(C2CC2)n1)c1cscn1
InChIInChI=1S/C13H16N4OS/c1-8(11-6-19-7-15-11)14-5-10-4-12(18)17-13(16-10)9-2-3-9/h4,6-9,14H,2-3,5H2,1H3,(H,16,17,18)
InChIKeyLFJPEHICSRKOHQ-UHFFFAOYSA-N
XLogP1.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-pyrimidin-6-one (CID 138032932) is 2-cyclopropyl-4-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-pyrimidin-6-one is CC(NCc1cc(=O)[nH]c(C2CC2)n1)c1cscn1.
What is the InChIKey of 2-cyclopropyl-4-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-pyrimidin-6-one?
The InChIKey is LFJPEHICSRKOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8(11-6-19-7-15-11)14-5-10-4-12(18)17-13(16-10)9-2-3-9/h4,6-9,14H,2-3,5H2,1H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-4-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-pyrimidin-6-one has a molecular weight of 276.36 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 138032932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).