N-tert-butyl-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-[2-(oxan-2-yloxy)ethyl]amino]acetamide

C20H31ClN4O3 — CID 157029730

IUPACN-tert-butyl-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-[2-(oxan-2-yloxy)ethyl]amino]acetamide
SMILESCC(C)(C)NC(=O)CN(CCOC1CCCCO1)c1nc(Cl)nc2c1CCC2
InChIInChI=1S/C20H31ClN4O3/c1-20(2,3)24-16(26)13-25(10-12-28-17-9-4-5-11-27-17)18-14-7-6-8-15(14)22-19(21)23-18/h17H,4-13H2,1-3H3,(H,24,26)
InChIKeyWBAXRHMITCMDBU-UHFFFAOYSA-N
MW410.95 g/mol
LogP2.88
Rot. Bonds7

About N-tert-butyl-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-[2-(oxan-2-yloxy)ethyl]amino]acetamide

N-tert-butyl-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-[2-(oxan-2-yloxy)ethyl]amino]acetamide (PubChem CID 157029730) has the molecular formula C20H31ClN4O3 and a molecular weight of 410.95 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-[2-(oxan-2-yloxy)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-[2-(oxan-2-yloxy)ethyl]amino]acetamide
PubChem CID157029730
Molecular FormulaC20H31ClN4O3
Molecular Weight410.95 g/mol
Exact Mass410.21
IUPAC NameN-tert-butyl-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-[2-(oxan-2-yloxy)ethyl]amino]acetamide
SMILESCC(C)(C)NC(=O)CN(CCOC1CCCCO1)c1nc(Cl)nc2c1CCC2
InChIInChI=1S/C20H31ClN4O3/c1-20(2,3)24-16(26)13-25(10-12-28-17-9-4-5-11-27-17)18-14-7-6-8-15(14)22-19(21)23-18/h17H,4-13H2,1-3H3,(H,24,26)
InChIKeyWBAXRHMITCMDBU-UHFFFAOYSA-N
XLogP2.88
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-tert-butyl-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-[2-(oxan-2-yloxy)ethyl]amino]acetamide with MolForge

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Related Compounds

N-tert-butyl-2-[(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)-methylamino]acetamide
CID 157029358
(2R)-N-tert-butyl-2-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]propanamide
CID 100668822
N-tert-butyl-2-[[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
CID 157029369
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
1-(tert-butylamino)-2-[methyl-[2-[4-[2-(oxan-2-yloxy)ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]ethanol
CID 166817055
N-tert-butyl-2-(N-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)anilino)prop-2-enamide
CID 157030400
N-ethyl-2-(oxan-2-yloxy)ethanamine
CID 14435554
2-[2-hydroxyethyl(methyl)amino]ethanol;2-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]ethanol
CID 68855298
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-ethyl-2-(oxan-2-yloxy)butoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-[(1R,2S)-2-hydroxycyclopentyl]acetamide
CID 157030260
methyl 8-(oxan-2-yloxy)-3,6-dioxooctanoate
CID 25053429
2-[4-(oxan-2-yloxy)butyl]decanoic acid
CID 177221724

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-[2-(oxan-2-yloxy)ethyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-[2-(oxan-2-yloxy)ethyl]amino]acetamide (CID 157029730) is N-tert-butyl-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-[2-(oxan-2-yloxy)ethyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-[2-(oxan-2-yloxy)ethyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-[2-(oxan-2-yloxy)ethyl]amino]acetamide is CC(C)(C)NC(=O)CN(CCOC1CCCCO1)c1nc(Cl)nc2c1CCC2.
What is the InChIKey of N-tert-butyl-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-[2-(oxan-2-yloxy)ethyl]amino]acetamide?
The InChIKey is WBAXRHMITCMDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN4O3/c1-20(2,3)24-16(26)13-25(10-12-28-17-9-4-5-11-27-17)18-14-7-6-8-15(14)22-19(21)23-18/h17H,4-13H2,1-3H3,(H,24,26).
What are the key properties of N-tert-butyl-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-[2-(oxan-2-yloxy)ethyl]amino]acetamide?
N-tert-butyl-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-[2-(oxan-2-yloxy)ethyl]amino]acetamide has a molecular weight of 410.95 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-[2-(oxan-2-yloxy)ethyl]amino]acetamide is sourced from PubChem (CID 157029730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).