1-(2,3-dihydro-1H-inden-4-yl)-3-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]urea

C18H22N4O2 — CID 72887082

IUPAC1-(2,3-dihydro-1H-inden-4-yl)-3-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]urea
SMILESCc1cc(C)n(CCNC(=O)Nc2cccc3c2CCC3)c(=O)n1
InChIInChI=1S/C18H22N4O2/c1-12-11-13(2)22(18(24)20-12)10-9-19-17(23)21-16-8-4-6-14-5-3-7-15(14)16/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H2,19,21,23)
InChIKeyWYSXGLITVXMWCE-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.17
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-4-yl)-3-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]urea

1-(2,3-dihydro-1H-inden-4-yl)-3-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]urea (PubChem CID 72887082) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-4-yl)-3-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-4-yl)-3-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]urea
PubChem CID72887082
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-(2,3-dihydro-1H-inden-4-yl)-3-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]urea
SMILESCc1cc(C)n(CCNC(=O)Nc2cccc3c2CCC3)c(=O)n1
InChIInChI=1S/C18H22N4O2/c1-12-11-13(2)22(18(24)20-12)10-9-19-17(23)21-16-8-4-6-14-5-3-7-15(14)16/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H2,19,21,23)
InChIKeyWYSXGLITVXMWCE-UHFFFAOYSA-N
XLogP2.17
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1H-inden-4-yl)-3-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]urea with MolForge

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Related Compounds

1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-[2-(piperidin-1-ylmethyl)phenyl]urea
CID 72892403
1-[2-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 91644229
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 50744738
1-(1,3-benzodioxol-5-yl)-3-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]urea
CID 72881182
1-(2-methylphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea
CID 122280845
(2S)-2-hydroxy-4-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 107837911
1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 72922302
N-(2,3-dihydro-1H-inden-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 174724212
1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 5016526
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-morpholin-4-ylbenzamide
CID 131942685
2-anilino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 72913236
1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 47032264

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-4-yl)-3-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-4-yl)-3-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]urea (CID 72887082) is 1-(2,3-dihydro-1H-inden-4-yl)-3-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-4-yl)-3-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-4-yl)-3-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]urea is Cc1cc(C)n(CCNC(=O)Nc2cccc3c2CCC3)c(=O)n1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-4-yl)-3-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]urea?
The InChIKey is WYSXGLITVXMWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-11-13(2)22(18(24)20-12)10-9-19-17(23)21-16-8-4-6-14-5-3-7-15(14)16/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H2,19,21,23).
What are the key properties of 1-(2,3-dihydro-1H-inden-4-yl)-3-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]urea?
1-(2,3-dihydro-1H-inden-4-yl)-3-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]urea has a molecular weight of 326.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-4-yl)-3-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]urea is sourced from PubChem (CID 72887082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).