N,N,7-trimethyl-8-oxo-2-[4-(trifluoromethyl)phenyl]purine-9-carboxamide

C16H14F3N5O2 — CID 51034092

IUPACN,N,7-trimethyl-8-oxo-2-[4-(trifluoromethyl)phenyl]purine-9-carboxamide
SMILESCN(C)C(=O)n1c(=O)n(C)c2cnc(-c3ccc(C(F)(F)F)cc3)nc21
InChIInChI=1S/C16H14F3N5O2/c1-22(2)14(25)24-13-11(23(3)15(24)26)8-20-12(21-13)9-4-6-10(7-5-9)16(17,18)19/h4-8H,1-3H3
InChIKeyQXMFZIKZBSZZON-UHFFFAOYSA-N
MW365.32 g/mol
LogP2.35
Rot. Bonds1

About N,N,7-trimethyl-8-oxo-2-[4-(trifluoromethyl)phenyl]purine-9-carboxamide

N,N,7-trimethyl-8-oxo-2-[4-(trifluoromethyl)phenyl]purine-9-carboxamide (PubChem CID 51034092) has the molecular formula C16H14F3N5O2 and a molecular weight of 365.32 g/mol. Its IUPAC name is N,N,7-trimethyl-8-oxo-2-[4-(trifluoromethyl)phenyl]purine-9-carboxamide.

Molecular Properties

Compound NameN,N,7-trimethyl-8-oxo-2-[4-(trifluoromethyl)phenyl]purine-9-carboxamide
PubChem CID51034092
Molecular FormulaC16H14F3N5O2
Molecular Weight365.32 g/mol
Exact Mass365.11
IUPAC NameN,N,7-trimethyl-8-oxo-2-[4-(trifluoromethyl)phenyl]purine-9-carboxamide
SMILESCN(C)C(=O)n1c(=O)n(C)c2cnc(-c3ccc(C(F)(F)F)cc3)nc21
InChIInChI=1S/C16H14F3N5O2/c1-22(2)14(25)24-13-11(23(3)15(24)26)8-20-12(21-13)9-4-6-10(7-5-9)16(17,18)19/h4-8H,1-3H3
InChIKeyQXMFZIKZBSZZON-UHFFFAOYSA-N
XLogP2.35
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-(2-fluoro-4-pyridinyl)-N,9-dimethyl-8-oxopurine-7-carboxamide
CID 51033983
N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide
CID 22617792
N-methoxy-N-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;methyl 2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate
CID 87417548
N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide
CID 50792045
9-(3-methoxyphenyl)-7-methyl-8-oxo-2-[4-(trifluoromethyl)phenyl]purine-6-carboxamide
CID 20854886
[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 18628527
6-methyl-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909217
2-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine;hydrochloride
CID 121300182
N-hydroxy-N-methyl-4-(trifluoromethyl)benzamide
CID 10420962
methyl 3-methyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carboxylate
CID 44818303
methyl-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]carbamic acid
CID 129139446
5-bromo-N-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 66297991

Frequently Asked Questions

What is the IUPAC name of N,N,7-trimethyl-8-oxo-2-[4-(trifluoromethyl)phenyl]purine-9-carboxamide?
The IUPAC name of N,N,7-trimethyl-8-oxo-2-[4-(trifluoromethyl)phenyl]purine-9-carboxamide (CID 51034092) is N,N,7-trimethyl-8-oxo-2-[4-(trifluoromethyl)phenyl]purine-9-carboxamide.
What is the SMILES notation for N,N,7-trimethyl-8-oxo-2-[4-(trifluoromethyl)phenyl]purine-9-carboxamide?
The canonical SMILES for N,N,7-trimethyl-8-oxo-2-[4-(trifluoromethyl)phenyl]purine-9-carboxamide is CN(C)C(=O)n1c(=O)n(C)c2cnc(-c3ccc(C(F)(F)F)cc3)nc21.
What is the InChIKey of N,N,7-trimethyl-8-oxo-2-[4-(trifluoromethyl)phenyl]purine-9-carboxamide?
The InChIKey is QXMFZIKZBSZZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O2/c1-22(2)14(25)24-13-11(23(3)15(24)26)8-20-12(21-13)9-4-6-10(7-5-9)16(17,18)19/h4-8H,1-3H3.
What are the key properties of N,N,7-trimethyl-8-oxo-2-[4-(trifluoromethyl)phenyl]purine-9-carboxamide?
N,N,7-trimethyl-8-oxo-2-[4-(trifluoromethyl)phenyl]purine-9-carboxamide has a molecular weight of 365.32 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,7-trimethyl-8-oxo-2-[4-(trifluoromethyl)phenyl]purine-9-carboxamide is sourced from PubChem (CID 51034092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).