4-[2-cyclopropyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol

C24H22F3N3O — CID 137299084

IUPAC4-[2-cyclopropyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
SMILESOc1ccc(-c2nc(C3CC3)nc3c2CN(Cc2ccc(C(F)(F)F)cc2)CC3)cc1
InChIInChI=1S/C24H22F3N3O/c25-24(26,27)18-7-1-15(2-8-18)13-30-12-11-21-20(14-30)22(16-5-9-19(31)10-6-16)29-23(28-21)17-3-4-17/h1-2,5-10,17,31H,3-4,11-14H2
InChIKeyGCWACVWHCRROGY-UHFFFAOYSA-N
MW425.45 g/mol
LogP5.30
Rot. Bonds4

About 4-[2-cyclopropyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol

4-[2-cyclopropyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol (PubChem CID 137299084) has the molecular formula C24H22F3N3O and a molecular weight of 425.45 g/mol. Its IUPAC name is 4-[2-cyclopropyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name4-[2-cyclopropyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
PubChem CID137299084
Molecular FormulaC24H22F3N3O
Molecular Weight425.45 g/mol
Exact Mass425.17
IUPAC Name4-[2-cyclopropyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
SMILESOc1ccc(-c2nc(C3CC3)nc3c2CN(Cc2ccc(C(F)(F)F)cc2)CC3)cc1
InChIInChI=1S/C24H22F3N3O/c25-24(26,27)18-7-1-15(2-8-18)13-30-12-11-21-20(14-30)22(16-5-9-19(31)10-6-16)29-23(28-21)17-3-4-17/h1-2,5-10,17,31H,3-4,11-14H2
InChIKeyGCWACVWHCRROGY-UHFFFAOYSA-N
XLogP5.30
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.45
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-(4-Hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol
CID 789621
2-[2-(4-fluoroanilino)-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-6-ol;hydrochloride
CID 18315831
4-Methyl-2-(2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl)phenol
CID 1069571
4-[4-(4-Methylphenyl)-2-pyrimidinyl]benzenol
CID 1479917
4-[6-(Isobutyl-methyl-amino)-4-phenyl-pyridin-2-yl]-phenol
CID 135987671
4-[2-Methyl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7,8,9-tetrahydropyrimido[5,4-c]azepin-4-yl]phenol
CID 137299173
4-[2-Methyl-6-[[4-(trifluoromethoxy)phenyl]methyl]-5,7,8,9-tetrahydropyrimido[5,4-c]azepin-4-yl]phenol
CID 137299251
2-[2-Phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
CID 690691
2-(2-Phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl)phenol
CID 659190
4-[[4-(2-Phenylquinazolin-4-yl)piperazin-1-yl]methyl]phenol
CID 71508893
2-Ethyl-4-(4-methoxyphenyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 134788923
2-Cyclopropyl-4-(4-methoxyphenyl)-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 134790958

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
The IUPAC name of 4-[2-cyclopropyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol (CID 137299084) is 4-[2-cyclopropyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol.
What is the SMILES notation for 4-[2-cyclopropyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
The canonical SMILES for 4-[2-cyclopropyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol is Oc1ccc(-c2nc(C3CC3)nc3c2CN(Cc2ccc(C(F)(F)F)cc2)CC3)cc1.
What is the InChIKey of 4-[2-cyclopropyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
The InChIKey is GCWACVWHCRROGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O/c25-24(26,27)18-7-1-15(2-8-18)13-30-12-11-21-20(14-30)22(16-5-9-19(31)10-6-16)29-23(28-21)17-3-4-17/h1-2,5-10,17,31H,3-4,11-14H2.
What are the key properties of 4-[2-cyclopropyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
4-[2-cyclopropyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol has a molecular weight of 425.45 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopropyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol is sourced from PubChem (CID 137299084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).