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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

C31H45N5O5 — CID 157030260

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[[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
SMILESCCC(CC)(COc1ccnc(-c2nc3c(c(N(C)CC(=O)N[C@@H]4CCC[C@@H]4O)n2)CCC3)c1)OC1CCCCO1
InChIInChI=1S/C31H45N5O5/c1-4-31(5-2,41-28-14-6-7-17-39-28)20-40-21-15-16-32-25(18-21)29-34-23-11-8-10-22(23)30(35-29)36(3)19-27(38)33-24-12-9-13-26(24)37/h15-16,18,24,26,28,37H,4-14,17,19-20H2,1-3H3,(H,33,38)/t24-,26+,28?/m1/s1
InChIKeyYWKZOGYORVCCHV-MAKPOSLASA-N
MW567.73 g/mol
LogP3.97
Rot. Bonds12

About 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

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 (PubChem CID 157030260) has the molecular formula C31H45N5O5 and a molecular weight of 567.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID157030260
Molecular FormulaC31H45N5O5
Molecular Weight567.73 g/mol
Exact Mass567.34
IUPAC Name2-[[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
SMILESCCC(CC)(COc1ccnc(-c2nc3c(c(N(C)CC(=O)N[C@@H]4CCC[C@@H]4O)n2)CCC3)c1)OC1CCCCO1
InChIInChI=1S/C31H45N5O5/c1-4-31(5-2,41-28-14-6-7-17-39-28)20-40-21-15-16-32-25(18-21)29-34-23-11-8-10-22(23)30(35-29)36(3)19-27(38)33-24-12-9-13-26(24)37/h15-16,18,24,26,28,37H,4-14,17,19-20H2,1-3H3,(H,33,38)/t24-,26+,28?/m1/s1
InChIKeyYWKZOGYORVCCHV-MAKPOSLASA-N
XLogP3.97
TPSA118.93 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.73
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(CC)(COc1ccnc(-c2nc3c(c(N(C)CC(=O)N[C@@H]4CCC[C@@H]4O)n2)CCC3)c1)OC1CCCCO1.
What is the InChIKey of 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?
The InChIKey is YWKZOGYORVCCHV-MAKPOSLASA-N. The full InChI is InChI=1S/C31H45N5O5/c1-4-31(5-2,41-28-14-6-7-17-39-28)20-40-21-15-16-32-25(18-21)29-34-23-11-8-10-22(23)30(35-29)36(3)19-27(38)33-24-12-9-13-26(24)37/h15-16,18,24,26,28,37H,4-14,17,19-20H2,1-3H3,(H,33,38)/t24-,26+,28?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 567.73 g/mol, XLogP of 3.97, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157030260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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