methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate

C19H19N3O5 — CID 58687161

IUPACmethyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate
SMILESCOC(=O)Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)OC)ncn1
InChIInChI=1S/C19H19N3O5/c1-26-17(23)8-11-3-5-13-12(7-11)4-6-14(13)22-18(24)15-9-16(19(25)27-2)21-10-20-15/h3,5,7,9-10,14H,4,6,8H2,1-2H3,(H,22,24)/t14-/m0/s1
InChIKeyAIGQQXLCVQQBLZ-AWEZNQCLSA-N
MW369.38 g/mol
LogP1.40
Rot. Bonds5

About methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate

methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate (PubChem CID 58687161) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate
PubChem CID58687161
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Namemethyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate
SMILESCOC(=O)Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)OC)ncn1
InChIInChI=1S/C19H19N3O5/c1-26-17(23)8-11-3-5-13-12(7-11)4-6-14(13)22-18(24)15-9-16(19(25)27-2)21-10-20-15/h3,5,7,9-10,14H,4,6,8H2,1-2H3,(H,22,24)/t14-/m0/s1
InChIKeyAIGQQXLCVQQBLZ-AWEZNQCLSA-N
XLogP1.40
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate with MolForge

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Related Compounds

6-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]pyrimidine-4-carboxylic acid
CID 59608285
US8822534, Example 5-12
CID 59607908
(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 11510970
(1S)-1-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-2-methoxypyrimidine-4-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 11511291
(1S)-1-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 11532443
(1S)-1-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-2-methoxypyrimidine-4-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 11547715
(1S)-1-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 11583484
(1S)-1-[[6-[[3-[[(2-amino-3,4-dioxocyclobuten-1-yl)amino]methyl]-4-fluorophenyl]methylcarbamoyl]pyrimidine-4-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 11592134
(1S)-1-[[2-amino-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 11698612
Methyl 6-(4-fluoro-3-methylbenzylcarbamoyl)pyrimidine-4-carboxylate
CID 12997477
Methyl 2-fluoro-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate
CID 25003564
1-[carboxymethyl-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidin-4-yl]methyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 25003925

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate (CID 58687161) is methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate is COC(=O)Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)OC)ncn1.
What is the InChIKey of methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate?
The InChIKey is AIGQQXLCVQQBLZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-26-17(23)8-11-3-5-13-12(7-11)4-6-14(13)22-18(24)15-9-16(19(25)27-2)21-10-20-15/h3,5,7,9-10,14H,4,6,8H2,1-2H3,(H,22,24)/t14-/m0/s1.
What are the key properties of methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate?
methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate has a molecular weight of 369.38 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[(1S)-5-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate is sourced from PubChem (CID 58687161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).