2-chloro-4-[2-[(4-hydroxycyclohexyl)amino]-4-phenylpyrimidin-5-yl]phenol

C22H22ClN3O2 — CID 134144288

IUPAC2-chloro-4-[2-[(4-hydroxycyclohexyl)amino]-4-phenylpyrimidin-5-yl]phenol
SMILESOc1ccc(-c2cnc(NC3CCC(O)CC3)nc2-c2ccccc2)cc1Cl
InChIInChI=1S/C22H22ClN3O2/c23-19-12-15(6-11-20(19)28)18-13-24-22(25-16-7-9-17(27)10-8-16)26-21(18)14-4-2-1-3-5-14/h1-6,11-13,16-17,27-28H,7-10H2,(H,24,25,26)
InChIKeyZWPOEONGDSYEDB-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.89
Rot. Bonds4

About 2-chloro-4-[2-[(4-hydroxycyclohexyl)amino]-4-phenylpyrimidin-5-yl]phenol

2-chloro-4-[2-[(4-hydroxycyclohexyl)amino]-4-phenylpyrimidin-5-yl]phenol (PubChem CID 134144288) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 2-chloro-4-[2-[(4-hydroxycyclohexyl)amino]-4-phenylpyrimidin-5-yl]phenol.

Molecular Properties

Compound Name2-chloro-4-[2-[(4-hydroxycyclohexyl)amino]-4-phenylpyrimidin-5-yl]phenol
PubChem CID134144288
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name2-chloro-4-[2-[(4-hydroxycyclohexyl)amino]-4-phenylpyrimidin-5-yl]phenol
SMILESOc1ccc(-c2cnc(NC3CCC(O)CC3)nc2-c2ccccc2)cc1Cl
InChIInChI=1S/C22H22ClN3O2/c23-19-12-15(6-11-20(19)28)18-13-24-22(25-16-7-9-17(27)10-8-16)26-21(18)14-4-2-1-3-5-14/h1-6,11-13,16-17,27-28H,7-10H2,(H,24,25,26)
InChIKeyZWPOEONGDSYEDB-UHFFFAOYSA-N
XLogP4.89
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-[(4-hydroxycyclohexyl)amino]-4-phenylpyrimidin-5-yl]phenol?
The IUPAC name of 2-chloro-4-[2-[(4-hydroxycyclohexyl)amino]-4-phenylpyrimidin-5-yl]phenol (CID 134144288) is 2-chloro-4-[2-[(4-hydroxycyclohexyl)amino]-4-phenylpyrimidin-5-yl]phenol.
What is the SMILES notation for 2-chloro-4-[2-[(4-hydroxycyclohexyl)amino]-4-phenylpyrimidin-5-yl]phenol?
The canonical SMILES for 2-chloro-4-[2-[(4-hydroxycyclohexyl)amino]-4-phenylpyrimidin-5-yl]phenol is Oc1ccc(-c2cnc(NC3CCC(O)CC3)nc2-c2ccccc2)cc1Cl.
What is the InChIKey of 2-chloro-4-[2-[(4-hydroxycyclohexyl)amino]-4-phenylpyrimidin-5-yl]phenol?
The InChIKey is ZWPOEONGDSYEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c23-19-12-15(6-11-20(19)28)18-13-24-22(25-16-7-9-17(27)10-8-16)26-21(18)14-4-2-1-3-5-14/h1-6,11-13,16-17,27-28H,7-10H2,(H,24,25,26).
What are the key properties of 2-chloro-4-[2-[(4-hydroxycyclohexyl)amino]-4-phenylpyrimidin-5-yl]phenol?
2-chloro-4-[2-[(4-hydroxycyclohexyl)amino]-4-phenylpyrimidin-5-yl]phenol has a molecular weight of 395.89 g/mol, XLogP of 4.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-[(4-hydroxycyclohexyl)amino]-4-phenylpyrimidin-5-yl]phenol is sourced from PubChem (CID 134144288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).