N-tert-butyl-2-[[2-(4-chloro-2-pyridinyl)-5-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide

C19H24ClN5O2 — CID 157029593

IUPACN-tert-butyl-2-[[2-(4-chloro-2-pyridinyl)-5-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)c1nc(-c2cc(Cl)ccn2)nc2c1C(O)CC2
InChIInChI=1S/C19H24ClN5O2/c1-19(2,3)24-15(27)10-25(4)18-16-12(5-6-14(16)26)22-17(23-18)13-9-11(20)7-8-21-13/h7-9,14,26H,5-6,10H2,1-4H3,(H,24,27)
InChIKeyDNXPIAXOJRLXEO-UHFFFAOYSA-N
MW389.89 g/mol
LogP2.52
Rot. Bonds4

About N-tert-butyl-2-[[2-(4-chloro-2-pyridinyl)-5-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide

N-tert-butyl-2-[[2-(4-chloro-2-pyridinyl)-5-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide (PubChem CID 157029593) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(4-chloro-2-pyridinyl)-5-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(4-chloro-2-pyridinyl)-5-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
PubChem CID157029593
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC NameN-tert-butyl-2-[[2-(4-chloro-2-pyridinyl)-5-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)c1nc(-c2cc(Cl)ccn2)nc2c1C(O)CC2
InChIInChI=1S/C19H24ClN5O2/c1-19(2,3)24-15(27)10-25(4)18-16-12(5-6-14(16)26)22-17(23-18)13-9-11(20)7-8-21-13/h7-9,14,26H,5-6,10H2,1-4H3,(H,24,27)
InChIKeyDNXPIAXOJRLXEO-UHFFFAOYSA-N
XLogP2.52
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
CID 157029591
N-tert-butyl-2-[[2-(4-chloro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]acetamide;ethane
CID 157029570
N-tert-butyl-2-[[2-[6-[tert-butyl-[2-[[2-(4-chloro-2-pyridinyl)-5-oxo-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]acetyl]amino]-4-chloro-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
CID 167209585
2-[[2-(4-chloro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 157029926
N-tert-butyl-2-[methyl-[2-[4-[[(2R)-oxiran-2-yl]methoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
CID 157029382
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-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-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
3-[2-[4-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyridinyl]propyl N-methylcarbamate
CID 167524611
N-tert-butyl-2-[[2-[4-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
CID 157029687
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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(4-chloro-2-pyridinyl)-5-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-(4-chloro-2-pyridinyl)-5-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide (CID 157029593) is N-tert-butyl-2-[[2-(4-chloro-2-pyridinyl)-5-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(4-chloro-2-pyridinyl)-5-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-(4-chloro-2-pyridinyl)-5-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide is CN(CC(=O)NC(C)(C)C)c1nc(-c2cc(Cl)ccn2)nc2c1C(O)CC2.
What is the InChIKey of N-tert-butyl-2-[[2-(4-chloro-2-pyridinyl)-5-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?
The InChIKey is DNXPIAXOJRLXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2/c1-19(2,3)24-15(27)10-25(4)18-16-12(5-6-14(16)26)22-17(23-18)13-9-11(20)7-8-21-13/h7-9,14,26H,5-6,10H2,1-4H3,(H,24,27).
What are the key properties of N-tert-butyl-2-[[2-(4-chloro-2-pyridinyl)-5-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?
N-tert-butyl-2-[[2-(4-chloro-2-pyridinyl)-5-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide has a molecular weight of 389.89 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(4-chloro-2-pyridinyl)-5-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide is sourced from PubChem (CID 157029593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).