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

C24H19F3N6O — CID 24914044

IUPAC2-pyrimidin-5-yl-6-[[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFC(F)(F)Oc1ccccc1-c1ccc(CN2CCc3nc(-c4cncnc4)ncc3C2)cn1
InChIInChI=1S/C24H19F3N6O/c25-24(26,27)34-22-4-2-1-3-19(22)21-6-5-16(9-30-21)13-33-8-7-20-18(14-33)12-31-23(32-20)17-10-28-15-29-11-17/h1-6,9-12,15H,7-8,13-14H2
InChIKeyJUUXTBOMXRXSPS-UHFFFAOYSA-N
MW464.45 g/mol
LogP4.45
Rot. Bonds5

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

2-pyrimidin-5-yl-6-[[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24914044) has the molecular formula C24H19F3N6O and a molecular weight of 464.45 g/mol. Its IUPAC name is 2-pyrimidin-5-yl-6-[[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-pyrimidin-5-yl-6-[[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24914044
Molecular FormulaC24H19F3N6O
Molecular Weight464.45 g/mol
Exact Mass464.16
IUPAC Name2-pyrimidin-5-yl-6-[[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFC(F)(F)Oc1ccccc1-c1ccc(CN2CCc3nc(-c4cncnc4)ncc3C2)cn1
InChIInChI=1S/C24H19F3N6O/c25-24(26,27)34-22-4-2-1-3-19(22)21-6-5-16(9-30-21)13-33-8-7-20-18(14-33)12-31-23(32-20)17-10-28-15-29-11-17/h1-6,9-12,15H,7-8,13-14H2
InChIKeyJUUXTBOMXRXSPS-UHFFFAOYSA-N
XLogP4.45
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 9976219
5-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 10338944
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10384316
5-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10406636
7-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10429017
4-[4-(4-Methoxyphenyl)piperazin-1-Yl]-2-(Pyridin-2-Yl)quinazoline
CID 58279815
2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine
CID 134611708
4-Phenoxy-2-pyridin-3-ylquinazoline
CID 872375
6-(2-Methoxyphenyl)-N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]pyrimidine-2,4-Diamine
CID 124220260
(5S)-N-[2-(4-fluorophenoxy)pyrimidin-5-yl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 139600336
4-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10316875
6-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10361588

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-5-yl-6-[[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-pyrimidin-5-yl-6-[[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24914044) is 2-pyrimidin-5-yl-6-[[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-pyrimidin-5-yl-6-[[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-pyrimidin-5-yl-6-[[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is FC(F)(F)Oc1ccccc1-c1ccc(CN2CCc3nc(-c4cncnc4)ncc3C2)cn1.
What is the InChIKey of 2-pyrimidin-5-yl-6-[[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is JUUXTBOMXRXSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O/c25-24(26,27)34-22-4-2-1-3-19(22)21-6-5-16(9-30-21)13-33-8-7-20-18(14-33)12-31-23(32-20)17-10-28-15-29-11-17/h1-6,9-12,15H,7-8,13-14H2.
What are the key properties of 2-pyrimidin-5-yl-6-[[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-pyrimidin-5-yl-6-[[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 464.45 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-5-yl-6-[[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24914044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).