3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(2-methoxyethyl)-1-(1,3-thiazol-2-ylmethyl)urea

C14H20N6O3S — CID 137094508

IUPAC3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(2-methoxyethyl)-1-(1,3-thiazol-2-ylmethyl)urea
SMILESCOCCN(Cc1nccs1)C(=O)NCCc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C14H20N6O3S/c1-23-6-5-20(9-13-16-4-7-24-13)14(22)17-3-2-11-18-10(15)8-12(21)19-11/h4,7-8H,2-3,5-6,9H2,1H3,(H,17,22)(H3,15,18,19,21)
InChIKeyDJMYZTMDANTPSR-UHFFFAOYSA-N
MW352.42 g/mol
LogP0.21
Rot. Bonds8

About 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(2-methoxyethyl)-1-(1,3-thiazol-2-ylmethyl)urea

3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(2-methoxyethyl)-1-(1,3-thiazol-2-ylmethyl)urea (PubChem CID 137094508) has the molecular formula C14H20N6O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(2-methoxyethyl)-1-(1,3-thiazol-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(2-methoxyethyl)-1-(1,3-thiazol-2-ylmethyl)urea
PubChem CID137094508
Molecular FormulaC14H20N6O3S
Molecular Weight352.42 g/mol
Exact Mass352.13
IUPAC Name3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(2-methoxyethyl)-1-(1,3-thiazol-2-ylmethyl)urea
SMILESCOCCN(Cc1nccs1)C(=O)NCCc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C14H20N6O3S/c1-23-6-5-20(9-13-16-4-7-24-13)14(22)17-3-2-11-18-10(15)8-12(21)19-11/h4,7-8H,2-3,5-6,9H2,1H3,(H,17,22)(H3,15,18,19,21)
InChIKeyDJMYZTMDANTPSR-UHFFFAOYSA-N
XLogP0.21
TPSA126.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 70725637
1-(2-methoxyethyl)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-(1,3-thiazol-2-ylmethyl)urea
CID 72897078
N-(2-methoxyethyl)-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 95715933
N-(2-methoxyethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 50955298
2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 97156363
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 137214437
(2R)-N-(2-methoxyethyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propanamide
CID 97064296
2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 166619081
(6S)-N-(2-methoxyethyl)-2-methyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 126423085
4-[[ethyl-[2-(1,3-thiazol-2-yl)ethyl]carbamoyl]amino]butanoic acid
CID 122023020
2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 5025418
(1R,9S)-N-(2-methoxyethyl)-6-oxo-N-(1,3-thiazol-2-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-5-carboxamide;dihydrochloride
CID 172910930

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(2-methoxyethyl)-1-(1,3-thiazol-2-ylmethyl)urea?
The IUPAC name of 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(2-methoxyethyl)-1-(1,3-thiazol-2-ylmethyl)urea (CID 137094508) is 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(2-methoxyethyl)-1-(1,3-thiazol-2-ylmethyl)urea.
What is the SMILES notation for 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(2-methoxyethyl)-1-(1,3-thiazol-2-ylmethyl)urea?
The canonical SMILES for 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(2-methoxyethyl)-1-(1,3-thiazol-2-ylmethyl)urea is COCCN(Cc1nccs1)C(=O)NCCc1nc(N)cc(=O)[nH]1.
What is the InChIKey of 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(2-methoxyethyl)-1-(1,3-thiazol-2-ylmethyl)urea?
The InChIKey is DJMYZTMDANTPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3S/c1-23-6-5-20(9-13-16-4-7-24-13)14(22)17-3-2-11-18-10(15)8-12(21)19-11/h4,7-8H,2-3,5-6,9H2,1H3,(H,17,22)(H3,15,18,19,21).
What are the key properties of 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(2-methoxyethyl)-1-(1,3-thiazol-2-ylmethyl)urea?
3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(2-methoxyethyl)-1-(1,3-thiazol-2-ylmethyl)urea has a molecular weight of 352.42 g/mol, XLogP of 0.21, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(2-methoxyethyl)-1-(1,3-thiazol-2-ylmethyl)urea is sourced from PubChem (CID 137094508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).