4-methyl-1-[2-(2-thiophen-3-ylethylamino)ethyl]pyrimidin-2-one

C13H17N3OS — CID 114217450

IUPAC4-methyl-1-[2-(2-thiophen-3-ylethylamino)ethyl]pyrimidin-2-one
SMILESCc1ccn(CCNCCc2ccsc2)c(=O)n1
InChIInChI=1S/C13H17N3OS/c1-11-3-7-16(13(17)15-11)8-6-14-5-2-12-4-9-18-10-12/h3-4,7,9-10,14H,2,5-6,8H2,1H3
InChIKeyNDCRUCKNFBGOAZ-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.45
Rot. Bonds6

About 4-methyl-1-[2-(2-thiophen-3-ylethylamino)ethyl]pyrimidin-2-one

4-methyl-1-[2-(2-thiophen-3-ylethylamino)ethyl]pyrimidin-2-one (PubChem CID 114217450) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-methyl-1-[2-(2-thiophen-3-ylethylamino)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-methyl-1-[2-(2-thiophen-3-ylethylamino)ethyl]pyrimidin-2-one
PubChem CID114217450
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name4-methyl-1-[2-(2-thiophen-3-ylethylamino)ethyl]pyrimidin-2-one
SMILESCc1ccn(CCNCCc2ccsc2)c(=O)n1
InChIInChI=1S/C13H17N3OS/c1-11-3-7-16(13(17)15-11)8-6-14-5-2-12-4-9-18-10-12/h3-4,7,9-10,14H,2,5-6,8H2,1H3
InChIKeyNDCRUCKNFBGOAZ-UHFFFAOYSA-N
XLogP1.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62567147
5-[2-(2-thiophen-3-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735362
N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62564712
1-[2-(2-thiophen-3-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280215
N-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62574291
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-3-ylethanamine
CID 80689611
N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine
CID 102746120
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
N-(2-indazol-1-ylethyl)-2-thiophen-3-ylethanamine
CID 62565668
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62556525
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine
CID 82892985
N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 65286725

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(2-thiophen-3-ylethylamino)ethyl]pyrimidin-2-one?
The IUPAC name of 4-methyl-1-[2-(2-thiophen-3-ylethylamino)ethyl]pyrimidin-2-one (CID 114217450) is 4-methyl-1-[2-(2-thiophen-3-ylethylamino)ethyl]pyrimidin-2-one.
What is the SMILES notation for 4-methyl-1-[2-(2-thiophen-3-ylethylamino)ethyl]pyrimidin-2-one?
The canonical SMILES for 4-methyl-1-[2-(2-thiophen-3-ylethylamino)ethyl]pyrimidin-2-one is Cc1ccn(CCNCCc2ccsc2)c(=O)n1.
What is the InChIKey of 4-methyl-1-[2-(2-thiophen-3-ylethylamino)ethyl]pyrimidin-2-one?
The InChIKey is NDCRUCKNFBGOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-11-3-7-16(13(17)15-11)8-6-14-5-2-12-4-9-18-10-12/h3-4,7,9-10,14H,2,5-6,8H2,1H3.
What are the key properties of 4-methyl-1-[2-(2-thiophen-3-ylethylamino)ethyl]pyrimidin-2-one?
4-methyl-1-[2-(2-thiophen-3-ylethylamino)ethyl]pyrimidin-2-one has a molecular weight of 263.37 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(2-thiophen-3-ylethylamino)ethyl]pyrimidin-2-one is sourced from PubChem (CID 114217450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).