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

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-[2-(2-methoxyethoxy)ethoxy]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-[2-(2-methoxyethoxy)ethoxy]pyrazol-4-yl]pyrimidin-2-amine;hydrochloride (PubChem CID 146445882) has the molecular formula C34H48Cl2N10O5 and a molecular weight of 747.73 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-[2-(2-methoxyethoxy)ethoxy]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-[2-(2-methoxyethoxy)ethoxy]pyrazol-4-yl]pyrimidin-2-amine;hydrochloride
PubChem CID	146445882
Molecular Formula	C34H48Cl2N10O5
Molecular Weight	747.73 g/mol
Exact Mass	746.32
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-[2-(2-methoxyethoxy)ethoxy]pyrazol-4-yl]pyrimidin-2-amine;hydrochloride
SMILES	COCCOCCOc1nn(C2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1Nc1ncc(-c2ccc(Cl)c(OC(C)Cn3cnnn3)c2)cn1.Cl
InChI	InChI=1S/C34H47ClN10O5.ClH/c1-23-18-43(19-24(2)49-23)28-6-8-29(9-7-28)45-21-31(33(40-45)48-14-13-47-12-11-46-4)39-34-36-16-27(17-37-34)26-5-10-30(35)32(15-26)50-25(3)20-44-22-38-41-42-44;/h5,10,15-17,21-25,28-29H,6-9,11-14,18-20H2,1-4H3,(H,36,37,39);1H/t23-,24+,25?,28?,29?;
InChIKey	SGLQANPHVOLAST-QPBVOVPGSA-N
XLogP	5.25
TPSA	148.62 Å²
H-Bond Donors	1
H-Bond Acceptors	15
Rotatable Bonds	16
Heavy Atoms	51
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	747.73
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Related Compounds

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-[2-(2-methoxyethoxy)ethoxy]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-[2-(2-methoxyethoxy)ethoxy]pyrazol-4-yl]pyrimidin-2-amine;hydrochloride (CID 146445882) 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-[2-(2-methoxyethoxy)ethoxy]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-[2-(2-methoxyethoxy)ethoxy]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-[2-(2-methoxyethoxy)ethoxy]pyrazol-4-yl]pyrimidin-2-amine;hydrochloride is COCCOCCOc1nn(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-[2-(2-methoxyethoxy)ethoxy]pyrazol-4-yl]pyrimidin-2-amine;hydrochloride?

The InChIKey is SGLQANPHVOLAST-QPBVOVPGSA-N. The full InChI is InChI=1S/C34H47ClN10O5.ClH/c1-23-18-43(19-24(2)49-23)28-6-8-29(9-7-28)45-21-31(33(40-45)48-14-13-47-12-11-46-4)39-34-36-16-27(17-37-34)26-5-10-30(35)32(15-26)50-25(3)20-44-22-38-41-42-44;/h5,10,15-17,21-25,28-29H,6-9,11-14,18-20H2,1-4H3,(H,36,37,39);1H/t23-,24+,25?,28?,29?;.

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-[2-(2-methoxyethoxy)ethoxy]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-[2-(2-methoxyethoxy)ethoxy]pyrazol-4-yl]pyrimidin-2-amine;hydrochloride has a molecular weight of 747.73 g/mol, XLogP of 5.25, 16 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-[2-(2-methoxyethoxy)ethoxy]pyrazol-4-yl]pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 146445882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).