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

C13H15N3OS — CID 137016082

IUPAC2-cyclopropyl-4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCc2cccs2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H15N3OS/c17-12-8-11(15-13(16-12)9-3-4-9)14-6-5-10-2-1-7-18-10/h1-2,7-9H,3-6H2,(H2,14,15,16,17)
InChIKeyLXDZTSILAZUOLB-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.36
Rot. Bonds5

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

2-cyclopropyl-4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one (PubChem CID 137016082) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one
PubChem CID137016082
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-cyclopropyl-4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCc2cccs2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H15N3OS/c17-12-8-11(15-13(16-12)9-3-4-9)14-6-5-10-2-1-7-18-10/h1-2,7-9H,3-6H2,(H2,14,15,16,17)
InChIKeyLXDZTSILAZUOLB-UHFFFAOYSA-N
XLogP2.36
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one
CID 136973753
2-cyclopropyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136737816
2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one
CID 136977841
2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one
CID 137016695
2-cyclopropyl-4-(1,3-thiazol-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136974677
4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136689846
5-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958938
4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136974636
tert-butyl N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]carbamate
CID 136977515
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one (CID 137016082) is 2-cyclopropyl-4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one is O=c1cc(NCCc2cccs2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one?
The InChIKey is LXDZTSILAZUOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c17-12-8-11(15-13(16-12)9-3-4-9)14-6-5-10-2-1-7-18-10/h1-2,7-9H,3-6H2,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one has a molecular weight of 261.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137016082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).