N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2,3-dimethoxypropoxy)-7-methoxy-2-methylquinazolin-4-amine

C22H26F3N5O4 — CID 170146881

IUPACN-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2,3-dimethoxypropoxy)-7-methoxy-2-methylquinazolin-4-amine
SMILESCOCC(COc1cc2c(NCc3cc(N)nc(C(F)(F)F)c3)nc(C)nc2cc1OC)OC
InChIInChI=1S/C22H26F3N5O4/c1-12-28-16-8-17(33-4)18(34-11-14(32-3)10-31-2)7-15(16)21(29-12)27-9-13-5-19(22(23,24)25)30-20(26)6-13/h5-8,14H,9-11H2,1-4H3,(H2,26,30)(H,27,28,29)
InChIKeyRTXCHNZVBDPPQQ-UHFFFAOYSA-N
MW481.48 g/mol
LogP3.60
Rot. Bonds10

About N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2,3-dimethoxypropoxy)-7-methoxy-2-methylquinazolin-4-amine

N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2,3-dimethoxypropoxy)-7-methoxy-2-methylquinazolin-4-amine (PubChem CID 170146881) has the molecular formula C22H26F3N5O4 and a molecular weight of 481.48 g/mol. Its IUPAC name is N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2,3-dimethoxypropoxy)-7-methoxy-2-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2,3-dimethoxypropoxy)-7-methoxy-2-methylquinazolin-4-amine
PubChem CID170146881
Molecular FormulaC22H26F3N5O4
Molecular Weight481.48 g/mol
Exact Mass481.19
IUPAC NameN-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2,3-dimethoxypropoxy)-7-methoxy-2-methylquinazolin-4-amine
SMILESCOCC(COc1cc2c(NCc3cc(N)nc(C(F)(F)F)c3)nc(C)nc2cc1OC)OC
InChIInChI=1S/C22H26F3N5O4/c1-12-28-16-8-17(33-4)18(34-11-14(32-3)10-31-2)7-15(16)21(29-12)27-9-13-5-19(22(23,24)25)30-20(26)6-13/h5-8,14H,9-11H2,1-4H3,(H2,26,30)(H,27,28,29)
InChIKeyRTXCHNZVBDPPQQ-UHFFFAOYSA-N
XLogP3.60
TPSA113.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2,3-dimethoxypropoxy)-7-methoxy-2-methylquinazolin-4-amine with MolForge

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Related Compounds

N-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]methyl]-6-(2,3-dimethoxypropoxy)-7-methoxy-2-methylquinazolin-4-amine
CID 170146882
N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2-methoxyethoxy)-2-methyl-7-(trifluoromethyl)quinazolin-4-amine
CID 170146176
4-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methylamino]-6-(2-methoxyethoxy)-2-methylquinazoline-7-carbonitrile
CID 170146194
N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-7-methoxy-2-methyl-6-[2-(oxolan-3-yl)propan-2-yloxy]quinazolin-4-amine
CID 170146992
N-[[4-amino-6-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 170146414
N-[[2,5-difluoro-3-(trifluoromethyl)phenyl]methyl]-7-methoxy-6-(2-methoxybutoxy)-2-methylquinazolin-4-amine
CID 170146235
7-methoxy-6-(1-methoxybutan-2-yloxy)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146197
6,7-dimethoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146944
7-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine
CID 170146531
N-[[2,5-difluoro-3-(trifluoromethyl)phenyl]methyl]-7-methoxy-2-methyl-6-(3,3,3-trifluoro-2-methoxypropoxy)quinazolin-4-amine
CID 170146872
7-methoxy-6-(1-methoxy-3-methylbutan-2-yl)oxy-2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine
CID 170146834
7-methoxy-6-(1-methoxy-3-methylbutan-2-yl)oxy-2-methyl-N-[[4-(methylideneamino)-6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine
CID 170146835

Frequently Asked Questions

What is the IUPAC name of N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2,3-dimethoxypropoxy)-7-methoxy-2-methylquinazolin-4-amine?
The IUPAC name of N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2,3-dimethoxypropoxy)-7-methoxy-2-methylquinazolin-4-amine (CID 170146881) is N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2,3-dimethoxypropoxy)-7-methoxy-2-methylquinazolin-4-amine.
What is the SMILES notation for N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2,3-dimethoxypropoxy)-7-methoxy-2-methylquinazolin-4-amine?
The canonical SMILES for N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2,3-dimethoxypropoxy)-7-methoxy-2-methylquinazolin-4-amine is COCC(COc1cc2c(NCc3cc(N)nc(C(F)(F)F)c3)nc(C)nc2cc1OC)OC.
What is the InChIKey of N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2,3-dimethoxypropoxy)-7-methoxy-2-methylquinazolin-4-amine?
The InChIKey is RTXCHNZVBDPPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O4/c1-12-28-16-8-17(33-4)18(34-11-14(32-3)10-31-2)7-15(16)21(29-12)27-9-13-5-19(22(23,24)25)30-20(26)6-13/h5-8,14H,9-11H2,1-4H3,(H2,26,30)(H,27,28,29).
What are the key properties of N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2,3-dimethoxypropoxy)-7-methoxy-2-methylquinazolin-4-amine?
N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2,3-dimethoxypropoxy)-7-methoxy-2-methylquinazolin-4-amine has a molecular weight of 481.48 g/mol, XLogP of 3.60, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2,3-dimethoxypropoxy)-7-methoxy-2-methylquinazolin-4-amine is sourced from PubChem (CID 170146881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).