2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone

C22H29N5O2 — CID 170202506

IUPAC2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone
SMILESCCCOc1ccnc(-c2nc3c(c(N(C)CC(=O)N4CCCC4)n2)CCC3)c1
InChIInChI=1S/C22H29N5O2/c1-3-13-29-16-9-10-23-19(14-16)21-24-18-8-6-7-17(18)22(25-21)26(2)15-20(28)27-11-4-5-12-27/h9-10,14H,3-8,11-13,15H2,1-2H3
InChIKeyDOXNOIJZLFYRIQ-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.87
Rot. Bonds7

About 2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone

2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone (PubChem CID 170202506) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone
PubChem CID170202506
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone
SMILESCCCOc1ccnc(-c2nc3c(c(N(C)CC(=O)N4CCCC4)n2)CCC3)c1
InChIInChI=1S/C22H29N5O2/c1-3-13-29-16-9-10-23-19(14-16)21-24-18-8-6-7-17(18)22(25-21)26(2)15-20(28)27-11-4-5-12-27/h9-10,14H,3-8,11-13,15H2,1-2H3
InChIKeyDOXNOIJZLFYRIQ-UHFFFAOYSA-N
XLogP2.87
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone with MolForge

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Launch Full Analysis

Related Compounds

7-(2-cyclopentylethyl)-6-[4-(4-acetylpiperazin-1-yl)phenoxymethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 25023788
4-Amino-1,3-dihydro-1-[(6-methyl-3-pyridinyl)methyl]-6-[(tetrahydro-2H-pyran-4-yl)methoxy]-2H-imidazo[4,5-c]-pyridin-2-one
CID 25154304
4-amino-1-((6-methylpyridin-3-yl)methyl)-6-((tetrahydrofuran-3-yl)methoxy)-1H-imidazo[4,5-c]pyridin-2(3H)-one
CID 42606777
6-(5-methyl-pyridin-2-yl)-2-phenoxymethyl-7,8-dihydro-6H-imidazo[1,2-c]pyrimidin-5-one
CID 68290315
7-Benzyl-4-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
CID 70683187
7-Benzyl-4-[1-[(4-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
CID 70689475
7-Benzyl-4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
CID 70695784
7-Benzyl-4-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
CID 70681068
methyl N-[[5-(cyclopropylmethyl)-6-ethoxy-2-pyridin-2-ylpyrimidin-4-yl]methyl]-N-ethylcarbamate
CID 73353550
[1-(2-Methoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-morpholin-4-ylmethanone
CID 118740498
Propan-2-yl 4-[[7-(2-methyl-3-pyridinyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
CID 24900242
US11535611, Example 81
CID 142608512

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone (CID 170202506) is 2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone is CCCOc1ccnc(-c2nc3c(c(N(C)CC(=O)N4CCCC4)n2)CCC3)c1.
What is the InChIKey of 2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is DOXNOIJZLFYRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-3-13-29-16-9-10-23-19(14-16)21-24-18-8-6-7-17(18)22(25-21)26(2)15-20(28)27-11-4-5-12-27/h9-10,14H,3-8,11-13,15H2,1-2H3.
What are the key properties of 2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone?
2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 395.51 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 170202506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).