N-[2-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

C19H11Cl2F3N4O — CID 121300180

IUPACN-[2-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESFC(F)(F)c1ccc(Nc2ncnc3ocnc23)c(Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C19H11Cl2F3N4O/c20-13-2-1-3-14(21)12(13)7-10-6-11(19(22,23)24)4-5-15(10)28-17-16-18(26-8-25-17)29-9-27-16/h1-6,8-9H,7H2,(H,25,26,28)
InChIKeyBYVQONOGGNLMPD-UHFFFAOYSA-N
MW439.22 g/mol
LogP6.28
Rot. Bonds4

About N-[2-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

N-[2-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (PubChem CID 121300180) has the molecular formula C19H11Cl2F3N4O and a molecular weight of 439.22 g/mol. Its IUPAC name is N-[2-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
PubChem CID121300180
Molecular FormulaC19H11Cl2F3N4O
Molecular Weight439.22 g/mol
Exact Mass438.03
IUPAC NameN-[2-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESFC(F)(F)c1ccc(Nc2ncnc3ocnc23)c(Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C19H11Cl2F3N4O/c20-13-2-1-3-14(21)12(13)7-10-6-11(19(22,23)24)4-5-15(10)28-17-16-18(26-8-25-17)29-9-27-16/h1-6,8-9H,7H2,(H,25,26,28)
InChIKeyBYVQONOGGNLMPD-UHFFFAOYSA-N
XLogP6.28
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.22
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine with MolForge

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Related Compounds

6-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylpyrimidin-4-amine
CID 63735092
6-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 153247661
6-N-[(2-chlorophenyl)methyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148539
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-(2,3-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23479681
3-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol
CID 114318204
N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]quinoxalin-5-amine
CID 171682062
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
CID 22541281
2-N-(2,6-dichlorophenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24882956
4-N-(2-ethylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22544122
6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 22541138
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine
CID 22541112
6-chloro-5-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 63729574

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N-[2-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (CID 121300180) is N-[2-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N-[2-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N-[2-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is FC(F)(F)c1ccc(Nc2ncnc3ocnc23)c(Cc2c(Cl)cccc2Cl)c1.
What is the InChIKey of N-[2-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is BYVQONOGGNLMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2F3N4O/c20-13-2-1-3-14(21)12(13)7-10-6-11(19(22,23)24)4-5-15(10)28-17-16-18(26-8-25-17)29-9-27-16/h1-6,8-9H,7H2,(H,25,26,28).
What are the key properties of N-[2-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
N-[2-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 439.22 g/mol, XLogP of 6.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 121300180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).