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

C18H14F3N5O — CID 121456074

IUPAC2-pyrimidin-2-yl-6-[3-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFC(F)(F)Oc1cccc(N2CCc3nc(-c4ncccn4)ncc3C2)c1
InChIInChI=1S/C18H14F3N5O/c19-18(20,21)27-14-4-1-3-13(9-14)26-8-5-15-12(11-26)10-24-17(25-15)16-22-6-2-7-23-16/h1-4,6-7,9-10H,5,8,11H2
InChIKeyFTGGACLYNMRTIH-UHFFFAOYSA-N
MW373.34 g/mol
LogP3.39
Rot. Bonds3

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

2-pyrimidin-2-yl-6-[3-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 121456074) has the molecular formula C18H14F3N5O and a molecular weight of 373.34 g/mol. Its IUPAC name is 2-pyrimidin-2-yl-6-[3-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-pyrimidin-2-yl-6-[3-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID121456074
Molecular FormulaC18H14F3N5O
Molecular Weight373.34 g/mol
Exact Mass373.12
IUPAC Name2-pyrimidin-2-yl-6-[3-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFC(F)(F)Oc1cccc(N2CCc3nc(-c4ncccn4)ncc3C2)c1
InChIInChI=1S/C18H14F3N5O/c19-18(20,21)27-14-4-1-3-13(9-14)26-8-5-15-12(11-26)10-24-17(25-15)16-22-6-2-7-23-16/h1-4,6-7,9-10H,5,8,11H2
InChIKeyFTGGACLYNMRTIH-UHFFFAOYSA-N
XLogP3.39
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-fluoro-5-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122669668
6-(3-cyclopropyl-5-fluorophenyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121456018
3-[2-[4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propanal
CID 126676672
ethyl 3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoate
CID 86695814
2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline
CID 139461226
1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 121226455
2-ethoxy-4-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoic acid
CID 121456026
2-butoxy-4-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoic acid
CID 121455912
2-methylsulfanyl-6-[[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914051
2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinolin-6-ol
CID 142341766
6-(3-fluoro-4-methoxy-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121455953
4-chloro-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-d]pyrimidine
CID 71377348

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-yl-6-[3-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-pyrimidin-2-yl-6-[3-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 121456074) is 2-pyrimidin-2-yl-6-[3-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-pyrimidin-2-yl-6-[3-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-pyrimidin-2-yl-6-[3-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is FC(F)(F)Oc1cccc(N2CCc3nc(-c4ncccn4)ncc3C2)c1.
What is the InChIKey of 2-pyrimidin-2-yl-6-[3-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is FTGGACLYNMRTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O/c19-18(20,21)27-14-4-1-3-13(9-14)26-8-5-15-12(11-26)10-24-17(25-15)16-22-6-2-7-23-16/h1-4,6-7,9-10H,5,8,11H2.
What are the key properties of 2-pyrimidin-2-yl-6-[3-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-pyrimidin-2-yl-6-[3-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 373.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yl-6-[3-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 121456074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).