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

C23H34N6O3 — CID 157029591

IUPACN-tert-butyl-2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
SMILESCN(C)CCOc1ccnc(-c2nc3c(c(N(C)CC(=O)NC(C)(C)C)n2)CCC3O)c1
InChIInChI=1S/C23H34N6O3/c1-23(2,3)27-19(31)14-29(6)22-16-7-8-18(30)20(16)25-21(26-22)17-13-15(9-10-24-17)32-12-11-28(4)5/h9-10,13,18,30H,7-8,11-12,14H2,1-6H3,(H,27,31)
InChIKeyNOLXGJBFFPZPST-UHFFFAOYSA-N
MW442.56 g/mol
LogP1.81
Rot. Bonds8

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

N-tert-butyl-2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide (PubChem CID 157029591) has the molecular formula C23H34N6O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
PubChem CID157029591
Molecular FormulaC23H34N6O3
Molecular Weight442.56 g/mol
Exact Mass442.27
IUPAC NameN-tert-butyl-2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
SMILESCN(C)CCOc1ccnc(-c2nc3c(c(N(C)CC(=O)NC(C)(C)C)n2)CCC3O)c1
InChIInChI=1S/C23H34N6O3/c1-23(2,3)27-19(31)14-29(6)22-16-7-8-18(30)20(16)25-21(26-22)17-13-15(9-10-24-17)32-12-11-28(4)5/h9-10,13,18,30H,7-8,11-12,14H2,1-6H3,(H,27,31)
InChIKeyNOLXGJBFFPZPST-UHFFFAOYSA-N
XLogP1.81
TPSA103.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?
The IUPAC name of 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) is N-tert-butyl-2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide is CN(C)CCOc1ccnc(-c2nc3c(c(N(C)CC(=O)NC(C)(C)C)n2)CCC3O)c1.
What is the InChIKey of N-tert-butyl-2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?
The InChIKey is NOLXGJBFFPZPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O3/c1-23(2,3)27-19(31)14-29(6)22-16-7-8-18(30)20(16)25-21(26-22)17-13-15(9-10-24-17)32-12-11-28(4)5/h9-10,13,18,30H,7-8,11-12,14H2,1-6H3,(H,27,31).
What are the key properties of N-tert-butyl-2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?
N-tert-butyl-2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide has a molecular weight of 442.56 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide is sourced from PubChem (CID 157029591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).