(8R)-8-[3-(5-chloro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine

C24H19ClF3N5O — CID 59837919

IUPAC(8R)-8-[3-(5-chloro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESNC1=N[C@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cncc(Cl)c3)c2)C2=NCCCN12
InChIInChI=1S/C24H19ClF3N5O/c25-19-12-16(13-30-14-19)15-3-1-4-18(11-15)23(21-31-9-2-10-33(21)22(29)32-23)17-5-7-20(8-6-17)34-24(26,27)28/h1,3-8,11-14H,2,9-10H2,(H2,29,32)/t23-/m1/s1
InChIKeyLITDXBOFHCGPEL-HSZRJFAPSA-N
MW485.90 g/mol
LogP4.98
Rot. Bonds4

About (8R)-8-[3-(5-chloro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine

(8R)-8-[3-(5-chloro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (PubChem CID 59837919) has the molecular formula C24H19ClF3N5O and a molecular weight of 485.90 g/mol. Its IUPAC name is (8R)-8-[3-(5-chloro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name(8R)-8-[3-(5-chloro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
PubChem CID59837919
Molecular FormulaC24H19ClF3N5O
Molecular Weight485.90 g/mol
Exact Mass485.12
IUPAC Name(8R)-8-[3-(5-chloro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESNC1=N[C@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cncc(Cl)c3)c2)C2=NCCCN12
InChIInChI=1S/C24H19ClF3N5O/c25-19-12-16(13-30-14-19)15-3-1-4-18(11-15)23(21-31-9-2-10-33(21)22(29)32-23)17-5-7-20(8-6-17)34-24(26,27)28/h1,3-8,11-14H,2,9-10H2,(H2,29,32)/t23-/m1/s1
InChIKeyLITDXBOFHCGPEL-HSZRJFAPSA-N
XLogP4.98
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.90
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-[3-(5-chloro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The IUPAC name of (8R)-8-[3-(5-chloro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (CID 59837919) is (8R)-8-[3-(5-chloro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for (8R)-8-[3-(5-chloro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for (8R)-8-[3-(5-chloro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is NC1=N[C@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cncc(Cl)c3)c2)C2=NCCCN12.
What is the InChIKey of (8R)-8-[3-(5-chloro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The InChIKey is LITDXBOFHCGPEL-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H19ClF3N5O/c25-19-12-16(13-30-14-19)15-3-1-4-18(11-15)23(21-31-9-2-10-33(21)22(29)32-23)17-5-7-20(8-6-17)34-24(26,27)28/h1,3-8,11-14H,2,9-10H2,(H2,29,32)/t23-/m1/s1.
What are the key properties of (8R)-8-[3-(5-chloro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
(8R)-8-[3-(5-chloro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine has a molecular weight of 485.90 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-[3-(5-chloro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 59837919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).