5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-3-[3-(2-methoxyethoxy)propoxy]pyrazol-4-yl]pyrimidin-2-amine;hydrochloride

C35H50Cl2N10O5 — CID 146445772

About 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-3-[3-(2-methoxyethoxy)propoxy]pyrazol-4-yl]pyrimidin-2-amine;hydrochloride

5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-3-[3-(2-methoxyethoxy)propoxy]pyrazol-4-yl]pyrimidin-2-amine;hydrochloride (PubChem CID 146445772) has the molecular formula C35H50Cl2N10O5 and a molecular weight of 761.76 g/mol. Its IUPAC name is 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-3-[3-(2-methoxyethoxy)propoxy]pyrazol-4-yl]pyrimidin-2-amine;hydrochloride.

Molecular Properties

• Compound Name: 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-3-[3-(2-methoxyethoxy)propoxy]pyrazol-4-yl]pyrimidin-2-amine;hydrochloride
• PubChem CID: 146445772
• Molecular Formula: C35H50Cl2N10O5
• Molecular Weight: 761.76 g/mol
• Exact Mass: 760.33
• IUPAC Name: 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-3-[3-(2-methoxyethoxy)propoxy]pyrazol-4-yl]pyrimidin-2-amine;hydrochloride
• SMILES: COCCOCCCOc1nn(C2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1Nc1ncc(-c2ccc(Cl)c(OC(C)Cn3cnnn3)c2)cn1.Cl
• InChI: InChI=1S/C35H49ClN10O5.ClH/c1-24-19-44(20-25(2)50-24)29-7-9-30(10-8-29)46-22-32(34(41-46)49-13-5-12-48-15-14-47-4)40-35-37-17-28(18-38-35)27-6-11-31(36)33(16-27)51-26(3)21-45-23-39-42-43-45;/h6,11,16-18,22-26,29-30H,5,7-10,12-15,19-21H2,1-4H3,(H,37,38,40);1H/t24-,25+,26?,29?,30?
• InChIKey: XLAXYHXMUITADS-UPBIURJNSA-N
• XLogP: 5.64
• TPSA: 148.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	761.76
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-3-[3-(2-methoxyethoxy)propoxy]pyrazol-4-yl]pyrimidin-2-amine;hydrochloride?

The IUPAC name of 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-3-[3-(2-methoxyethoxy)propoxy]pyrazol-4-yl]pyrimidin-2-amine;hydrochloride (CID 146445772) is 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-3-[3-(2-methoxyethoxy)propoxy]pyrazol-4-yl]pyrimidin-2-amine;hydrochloride.

What is the SMILES notation for 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-3-[3-(2-methoxyethoxy)propoxy]pyrazol-4-yl]pyrimidin-2-amine;hydrochloride?

The canonical SMILES for 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-3-[3-(2-methoxyethoxy)propoxy]pyrazol-4-yl]pyrimidin-2-amine;hydrochloride is COCCOCCCOc1nn(C2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1Nc1ncc(-c2ccc(Cl)c(OC(C)Cn3cnnn3)c2)cn1.Cl.

What is the InChIKey of 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-3-[3-(2-methoxyethoxy)propoxy]pyrazol-4-yl]pyrimidin-2-amine;hydrochloride?

The InChIKey is XLAXYHXMUITADS-UPBIURJNSA-N. The full InChI is InChI=1S/C35H49ClN10O5.ClH/c1-24-19-44(20-25(2)50-24)29-7-9-30(10-8-29)46-22-32(34(41-46)49-13-5-12-48-15-14-47-4)40-35-37-17-28(18-38-35)27-6-11-31(36)33(16-27)51-26(3)21-45-23-39-42-43-45;/h6,11,16-18,22-26,29-30H,5,7-10,12-15,19-21H2,1-4H3,(H,37,38,40);1H/t24-,25+,26?,29?,30?;.

What are the key properties of 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-3-[3-(2-methoxyethoxy)propoxy]pyrazol-4-yl]pyrimidin-2-amine;hydrochloride?

5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-3-[3-(2-methoxyethoxy)propoxy]pyrazol-4-yl]pyrimidin-2-amine;hydrochloride has a molecular weight of 761.76 g/mol, XLogP of 5.64, 17 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-3-[3-(2-methoxyethoxy)propoxy]pyrazol-4-yl]pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 146445772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).