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

C24H24F3N3O2 — CID 137299164

IUPAC4-[2-propan-2-yl-6-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
SMILESCC(C)c1nc2c(c(-c3ccc(O)cc3)n1)CN(Cc1ccc(OC(F)(F)F)cc1)CC2
InChIInChI=1S/C24H24F3N3O2/c1-15(2)23-28-21-11-12-30(13-16-3-9-19(10-4-16)32-24(25,26)27)14-20(21)22(29-23)17-5-7-18(31)8-6-17/h3-10,15,31H,11-14H2,1-2H3
InChIKeyUQTSULOBOFZNPX-UHFFFAOYSA-N
MW443.47 g/mol
LogP5.43
Rot. Bonds5

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

4-[2-propan-2-yl-6-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol (PubChem CID 137299164) has the molecular formula C24H24F3N3O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is 4-[2-propan-2-yl-6-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name4-[2-propan-2-yl-6-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
PubChem CID137299164
Molecular FormulaC24H24F3N3O2
Molecular Weight443.47 g/mol
Exact Mass443.18
IUPAC Name4-[2-propan-2-yl-6-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
SMILESCC(C)c1nc2c(c(-c3ccc(O)cc3)n1)CN(Cc1ccc(OC(F)(F)F)cc1)CC2
InChIInChI=1S/C24H24F3N3O2/c1-15(2)23-28-21-11-12-30(13-16-3-9-19(10-4-16)32-24(25,26)27)14-20(21)22(29-23)17-5-7-18(31)8-6-17/h3-10,15,31H,11-14H2,1-2H3
InChIKeyUQTSULOBOFZNPX-UHFFFAOYSA-N
XLogP5.43
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-Methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 2989573
4-[6-(4-Hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol
CID 789621
4-(4-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25129525
2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 46945651
2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 46945653
2-[2-Methoxy-6-[[2-(4-methoxyphenyl)ethyl]amino]-4-pyrimidinyl]phenol
CID 135509970
5-(Aminomethyl)-6-(4-methoxyphenyl)-2-phenylpyrimidin-4-amine
CID 10236556
3-(4-Methoxyphenyl)-8-(6-methyl-2-phenyl-4-pyrimidinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 655062
4-[4-(4-Methoxyphenyl)-2-pyrimidinyl]benzenol
CID 1479927
4-(4-Methoxyphenyl)-2-(3-methylphenyl)-6-(4-methylpiperazino)-5-pyrimidinecarbonitrile
CID 1487108
4-(2-Methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 2991881
2-(4-Benzylpiperazin-1-yl)-4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine
CID 2992722

Frequently Asked Questions

What is the IUPAC name of 4-[2-propan-2-yl-6-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
The IUPAC name of 4-[2-propan-2-yl-6-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol (CID 137299164) is 4-[2-propan-2-yl-6-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol.
What is the SMILES notation for 4-[2-propan-2-yl-6-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
The canonical SMILES for 4-[2-propan-2-yl-6-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol is CC(C)c1nc2c(c(-c3ccc(O)cc3)n1)CN(Cc1ccc(OC(F)(F)F)cc1)CC2.
What is the InChIKey of 4-[2-propan-2-yl-6-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
The InChIKey is UQTSULOBOFZNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O2/c1-15(2)23-28-21-11-12-30(13-16-3-9-19(10-4-16)32-24(25,26)27)14-20(21)22(29-23)17-5-7-18(31)8-6-17/h3-10,15,31H,11-14H2,1-2H3.
What are the key properties of 4-[2-propan-2-yl-6-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
4-[2-propan-2-yl-6-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol has a molecular weight of 443.47 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-propan-2-yl-6-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol is sourced from PubChem (CID 137299164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).