methyl 2-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate

C20H24N4O3 — CID 137257748

IUPACmethyl 2-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate
SMILESCCc1cc(=O)[nH]c(-c2ccc(N3CC4CCCC4(C(=O)OC)C3)nc2)n1
InChIInChI=1S/C20H24N4O3/c1-3-15-9-17(25)23-18(22-15)13-6-7-16(21-10-13)24-11-14-5-4-8-20(14,12-24)19(26)27-2/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3,(H,22,23,25)
InChIKeyNHQSEHOFBRDLNU-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.17
Rot. Bonds4

About methyl 2-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate

methyl 2-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate (PubChem CID 137257748) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is methyl 2-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate.

Molecular Properties

Compound Namemethyl 2-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate
PubChem CID137257748
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Namemethyl 2-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate
SMILESCCc1cc(=O)[nH]c(-c2ccc(N3CC4CCCC4(C(=O)OC)C3)nc2)n1
InChIInChI=1S/C20H24N4O3/c1-3-15-9-17(25)23-18(22-15)13-6-7-16(21-10-13)24-11-14-5-4-8-20(14,12-24)19(26)27-2/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3,(H,22,23,25)
InChIKeyNHQSEHOFBRDLNU-UHFFFAOYSA-N
XLogP2.17
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3-methylpyrrolidine-3-carboxylate
CID 137265079
2-[6-(4,4-dimethylazepan-1-yl)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137275494
4-ethyl-2-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one
CID 137264971
4-ethyl-2-[6-[3-(1-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137268715
1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 137061301
4-ethyl-2-[6-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137264948
2-[6-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136581628
4-ethyl-2-[6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137256516
4-ethyl-2-[6-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137257680
4-ethyl-2-[6-[(3-methoxycyclohexyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137268740
2-[6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137268371
4-ethyl-2-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one
CID 136527471

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate?
The IUPAC name of methyl 2-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate (CID 137257748) is methyl 2-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate.
What is the SMILES notation for methyl 2-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate?
The canonical SMILES for methyl 2-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate is CCc1cc(=O)[nH]c(-c2ccc(N3CC4CCCC4(C(=O)OC)C3)nc2)n1.
What is the InChIKey of methyl 2-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate?
The InChIKey is NHQSEHOFBRDLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-15-9-17(25)23-18(22-15)13-6-7-16(21-10-13)24-11-14-5-4-8-20(14,12-24)19(26)27-2/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3,(H,22,23,25).
What are the key properties of methyl 2-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate?
methyl 2-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate has a molecular weight of 368.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate is sourced from PubChem (CID 137257748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).