1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea

C14H18N4O2S — CID 71795211

IUPAC1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESCc1ncn(CCNC(=O)NCc2cccs2)c(=O)c1C
InChIInChI=1S/C14H18N4O2S/c1-10-11(2)17-9-18(13(10)19)6-5-15-14(20)16-8-12-4-3-7-21-12/h3-4,7,9H,5-6,8H2,1-2H3,(H2,15,16,20)
InChIKeyQCYAPVJLJJSNNQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.42
Rot. Bonds5

About 1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea

1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 71795211) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID71795211
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESCc1ncn(CCNC(=O)NCc2cccs2)c(=O)c1C
InChIInChI=1S/C14H18N4O2S/c1-10-11(2)17-9-18(13(10)19)6-5-15-14(20)16-8-12-4-3-7-21-12/h3-4,7,9H,5-6,8H2,1-2H3,(H2,15,16,20)
InChIKeyQCYAPVJLJJSNNQ-UHFFFAOYSA-N
XLogP1.42
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 121120778
1-(4-chlorophenyl)-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121120963
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121120623
1-cyclopentyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121121011
1-(3-methylbutyl)-3-(thiophen-2-ylmethyl)urea
CID 110706923
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 121120854
4-chloro-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121120714
4-tert-butyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121120830
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide
CID 121120887
3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 26835386
2-(benzimidazol-1-yl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121120794
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]naphthalene-2-carboxamide
CID 121120660

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea (CID 71795211) is 1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea is Cc1ncn(CCNC(=O)NCc2cccs2)c(=O)c1C.
What is the InChIKey of 1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is QCYAPVJLJJSNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10-11(2)17-9-18(13(10)19)6-5-15-14(20)16-8-12-4-3-7-21-12/h3-4,7,9H,5-6,8H2,1-2H3,(H2,15,16,20).
What are the key properties of 1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 306.39 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 71795211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).