tert-butyl 2-[(1R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentyl]acetate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;cis-(1R,2S)-2-methylcyclopentan-1-amine;ethane

C53H67Cl5N8O8 — CID 157160573

About tert-butyl 2-[(1R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentyl]acetate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;cis-(1R,2S)-2-methylcyclopentan-1-amine;ethane

tert-butyl 2-[(1R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentyl]acetate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;cis-(1R,2S)-2-methylcyclopentan-1-amine;ethane (PubChem CID 157160573) has the molecular formula C53H67Cl5N8O8 and a molecular weight of 1121.43 g/mol. Its IUPAC name is tert-butyl 2-[(1R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentyl]acetate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;cis-(1R,2S)-2-methylcyclopentan-1-amine;ethane.

Molecular Properties

• Compound Name: tert-butyl 2-[(1R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentyl]acetate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;cis-(1R,2S)-2-methylcyclopentan-1-amine;ethane
• PubChem CID: 157160573
• Molecular Formula: C53H67Cl5N8O8
• Molecular Weight: 1121.43 g/mol
• Exact Mass: 1118.35
• IUPAC Name: tert-butyl 2-[(1R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentyl]acetate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;cis-(1R,2S)-2-methylcyclopentan-1-amine;ethane
• SMILES: CC.CCn1c(=O)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(Cl)nc21.CCn1c(=O)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(NC3CCC[C@@H]3CC(=O)OC(C)(C)C)nc21.C[C@H]1CCC[C@H]1N
• InChI: InChI=1S/C28H34Cl2N4O5.C17H14Cl3N3O3.C6H13N.C2H6/c1-7-34-25-16(11-17(26(34)36)22-23(29)19(37-5)13-20(38-6)24(22)30)14-31-27(33-25)32-18-10-8-9-15(18)12-21(35)39-28(2,3)4;1-4-23-15-8(7-21-17(20)22-15)5-9(16(23)24)12-13(18)10(25-2)6-11(26-3)14(12)19;1-5-3-2-4-6(5)7;1-2/h11,13-15,18H,7-10,12H2,1-6H3,(H,31,32,33);5-7H,4H2,1-3H3;5-6H,2-4,7H2,1H3;1-2H3/t15-,18?;;5-,6+;/m1.0./s1
• InChIKey: AMIABYWVTHOSHN-ICEGFVGLSA-N
• XLogP: 12.73
• TPSA: 196.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1121.43
LogP ≤ 5	12.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentyl]acetate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;cis-(1R,2S)-2-methylcyclopentan-1-amine;ethane?

The IUPAC name of tert-butyl 2-[(1R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentyl]acetate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;cis-(1R,2S)-2-methylcyclopentan-1-amine;ethane (CID 157160573) is tert-butyl 2-[(1R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentyl]acetate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;cis-(1R,2S)-2-methylcyclopentan-1-amine;ethane.

What is the SMILES notation for tert-butyl 2-[(1R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentyl]acetate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;cis-(1R,2S)-2-methylcyclopentan-1-amine;ethane?

The canonical SMILES for tert-butyl 2-[(1R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentyl]acetate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;cis-(1R,2S)-2-methylcyclopentan-1-amine;ethane is CC.CCn1c(=O)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(Cl)nc21.CCn1c(=O)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(NC3CCC[C@@H]3CC(=O)OC(C)(C)C)nc21.C[C@H]1CCC[C@H]1N.

What is the InChIKey of tert-butyl 2-[(1R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentyl]acetate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;cis-(1R,2S)-2-methylcyclopentan-1-amine;ethane?

The InChIKey is AMIABYWVTHOSHN-ICEGFVGLSA-N. The full InChI is InChI=1S/C28H34Cl2N4O5.C17H14Cl3N3O3.C6H13N.C2H6/c1-7-34-25-16(11-17(26(34)36)22-23(29)19(37-5)13-20(38-6)24(22)30)14-31-27(33-25)32-18-10-8-9-15(18)12-21(35)39-28(2,3)4;1-4-23-15-8(7-21-17(20)22-15)5-9(16(23)24)12-13(18)10(25-2)6-11(26-3)14(12)19;1-5-3-2-4-6(5)7;1-2/h11,13-15,18H,7-10,12H2,1-6H3,(H,31,32,33);5-7H,4H2,1-3H3;5-6H,2-4,7H2,1H3;1-2H3/t15-,18?;;5-,6+;/m1.0./s1.

What are the key properties of tert-butyl 2-[(1R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentyl]acetate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;cis-(1R,2S)-2-methylcyclopentan-1-amine;ethane?

tert-butyl 2-[(1R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentyl]acetate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;cis-(1R,2S)-2-methylcyclopentan-1-amine;ethane has a molecular weight of 1121.43 g/mol, XLogP of 12.73, 12 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[(1R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentyl]acetate;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;cis-(1R,2S)-2-methylcyclopentan-1-amine;ethane is sourced from PubChem (CID 157160573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).