2-cyclopropyl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one

C13H15N3OS — CID 136975504

IUPAC2-cyclopropyl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one
SMILESCC(Nc1cc(=O)[nH]c(C2CC2)n1)c1ccsc1
InChIInChI=1S/C13H15N3OS/c1-8(10-4-5-18-7-10)14-11-6-12(17)16-13(15-11)9-2-3-9/h4-9H,2-3H2,1H3,(H2,14,15,16,17)
InChIKeyJGIYSMWVLGFGKU-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.88
Rot. Bonds4

About 2-cyclopropyl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one

2-cyclopropyl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one (PubChem CID 136975504) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-cyclopropyl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one
PubChem CID136975504
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-cyclopropyl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one
SMILESCC(Nc1cc(=O)[nH]c(C2CC2)n1)c1ccsc1
InChIInChI=1S/C13H15N3OS/c1-8(10-4-5-18-7-10)14-11-6-12(17)16-13(15-11)9-2-3-9/h4-9H,2-3H2,1H3,(H2,14,15,16,17)
InChIKeyJGIYSMWVLGFGKU-UHFFFAOYSA-N
XLogP2.88
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-yl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one
CID 136975508
2-cyclopropyl-4-[1-(1H-pyrazol-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 137011768
2-cyclopropyl-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136974892
2-cyclopropyl-4-(1-cyclopropylethylamino)-1H-pyrimidin-6-one
CID 136973985
2-cyclopropyl-4-(5-methylhexan-2-ylamino)-1H-pyrimidin-6-one
CID 137016449
2-cyclopropyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136976762
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 136976806
2-cyclopropyl-6-oxo-N-(1-thiophen-3-ylethyl)-1H-pyridine-4-carboxamide
CID 138992966
2-cyclopropyl-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136975163
2-cyclopropyl-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136824093
2-cyclopropyl-2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958788
2-propan-2-yl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80957246

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one (CID 136975504) is 2-cyclopropyl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one is CC(Nc1cc(=O)[nH]c(C2CC2)n1)c1ccsc1.
What is the InChIKey of 2-cyclopropyl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one?
The InChIKey is JGIYSMWVLGFGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-8(10-4-5-18-7-10)14-11-6-12(17)16-13(15-11)9-2-3-9/h4-9H,2-3H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one has a molecular weight of 261.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136975504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).