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

C24H33N5O2 — CID 170202535

IUPAC2-[[2-[4-(2,2-dimethylpropoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)c1nc(-c2cc(OCC(C)(C)C)ccn2)nc2c1CCC2
InChIInChI=1S/C24H33N5O2/c1-24(2,3)16-31-17-10-11-25-20(14-17)22-26-19-9-7-8-18(19)23(27-22)28(4)15-21(30)29-12-5-6-13-29/h10-11,14H,5-9,12-13,15-16H2,1-4H3
InChIKeyHFFUFTXWDCSUPD-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.51
Rot. Bonds6

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

2-[[2-[4-(2,2-dimethylpropoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 170202535) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-[[2-[4-(2,2-dimethylpropoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[2-[4-(2,2-dimethylpropoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID170202535
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name2-[[2-[4-(2,2-dimethylpropoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)c1nc(-c2cc(OCC(C)(C)C)ccn2)nc2c1CCC2
InChIInChI=1S/C24H33N5O2/c1-24(2,3)16-31-17-10-11-25-20(14-17)22-26-19-9-7-8-18(19)23(27-22)28(4)15-21(30)29-12-5-6-13-29/h10-11,14H,5-9,12-13,15-16H2,1-4H3
InChIKeyHFFUFTXWDCSUPD-UHFFFAOYSA-N
XLogP3.51
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone
CID 170202506
2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-morpholin-4-ylethanone
CID 157030240
1-(3-hydroxypyrrolidin-1-yl)-2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]ethanone
CID 166817040
ethane;ethyl 2-[methyl-[2-[4-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate
CID 157032049
2-[[2-[4-(2-aminoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide
CID 157030249
2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-methylacetamide
CID 166823569
2-[[2-[4-(2-acetamidoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide
CID 157030010
N-tert-butyl-2-[[2-[4-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
CID 157029322
N-(4-methoxyphenyl)-N-methyl-2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
CID 170202495
N-ethyl-2-[[2-[4-[(2R)-2-hydroxybutoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
CID 157029503
N-tert-butyl-2-[methyl-[2-[4-(2-methylsulfonylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide;formic acid
CID 175851841
N-tert-butyl-2-[[2-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
CID 157029740

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(2,2-dimethylpropoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[2-[4-(2,2-dimethylpropoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone (CID 170202535) is 2-[[2-[4-(2,2-dimethylpropoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[2-[4-(2,2-dimethylpropoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[2-[4-(2,2-dimethylpropoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone is CN(CC(=O)N1CCCC1)c1nc(-c2cc(OCC(C)(C)C)ccn2)nc2c1CCC2.
What is the InChIKey of 2-[[2-[4-(2,2-dimethylpropoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is HFFUFTXWDCSUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-24(2,3)16-31-17-10-11-25-20(14-17)22-26-19-9-7-8-18(19)23(27-22)28(4)15-21(30)29-12-5-6-13-29/h10-11,14H,5-9,12-13,15-16H2,1-4H3.
What are the key properties of 2-[[2-[4-(2,2-dimethylpropoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone?
2-[[2-[4-(2,2-dimethylpropoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 423.56 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(2,2-dimethylpropoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 170202535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).