N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-7-methoxy-2-methyl-6-[2-(oxolan-3-yl)propan-2-yloxy]quinazolin-4-amine

C24H28F3N5O3 — CID 170146992

IUPACN-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-7-methoxy-2-methyl-6-[2-(oxolan-3-yl)propan-2-yloxy]quinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NCc3cc(N)nc(C(F)(F)F)c3)c2cc1OC(C)(C)C1CCOC1
InChIInChI=1S/C24H28F3N5O3/c1-13-30-17-10-18(33-4)19(35-23(2,3)15-5-6-34-12-15)9-16(17)22(31-13)29-11-14-7-20(24(25,26)27)32-21(28)8-14/h7-10,15H,5-6,11-12H2,1-4H3,(H2,28,32)(H,29,30,31)
InChIKeyPNEAKOSJHVKPIJ-UHFFFAOYSA-N
MW491.51 g/mol
LogP4.75
Rot. Bonds7

About N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-7-methoxy-2-methyl-6-[2-(oxolan-3-yl)propan-2-yloxy]quinazolin-4-amine

N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-7-methoxy-2-methyl-6-[2-(oxolan-3-yl)propan-2-yloxy]quinazolin-4-amine (PubChem CID 170146992) has the molecular formula C24H28F3N5O3 and a molecular weight of 491.51 g/mol. Its IUPAC name is N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-7-methoxy-2-methyl-6-[2-(oxolan-3-yl)propan-2-yloxy]quinazolin-4-amine.

Molecular Properties

Compound NameN-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-7-methoxy-2-methyl-6-[2-(oxolan-3-yl)propan-2-yloxy]quinazolin-4-amine
PubChem CID170146992
Molecular FormulaC24H28F3N5O3
Molecular Weight491.51 g/mol
Exact Mass491.21
IUPAC NameN-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-7-methoxy-2-methyl-6-[2-(oxolan-3-yl)propan-2-yloxy]quinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NCc3cc(N)nc(C(F)(F)F)c3)c2cc1OC(C)(C)C1CCOC1
InChIInChI=1S/C24H28F3N5O3/c1-13-30-17-10-18(33-4)19(35-23(2,3)15-5-6-34-12-15)9-16(17)22(31-13)29-11-14-7-20(24(25,26)27)32-21(28)8-14/h7-10,15H,5-6,11-12H2,1-4H3,(H2,28,32)(H,29,30,31)
InChIKeyPNEAKOSJHVKPIJ-UHFFFAOYSA-N
XLogP4.75
TPSA104.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.51
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-7-methoxy-2-methyl-6-[2-(oxolan-3-yl)propan-2-yloxy]quinazolin-4-amine
CID 170146499
N-[[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-methoxy-2-methyl-6-[1-[(3S)-oxolan-3-yl]ethoxy]quinazolin-4-amine
CID 170146455
N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2,3-dimethoxypropoxy)-7-methoxy-2-methylquinazolin-4-amine
CID 170146881
N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2-methoxyethoxy)-2-methyl-7-(trifluoromethyl)quinazolin-4-amine
CID 170146176
N-[[4-amino-6-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 170146414
4-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methylamino]-6-(2-methoxyethoxy)-2-methylquinazoline-7-carbonitrile
CID 170146194
7-methoxy-2-methyl-6-[[(2R)-oxolan-2-yl]methoxy]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinazolin-4-amine
CID 170146464
[4-[[3-amino-5-(trifluoromethyl)phenyl]methylamino]-7-methoxy-2-methylquinazolin-6-yl] morpholine-4-carboxylate
CID 167197929
[4-[[3-amino-5-(trifluoromethyl)phenyl]methylamino]-7-methoxy-2-methylquinazolin-6-yl] 4-(oxetan-3-yl)piperazine-1-carboxylate
CID 167197066
6,7-dimethoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146944
5-[[[7-methoxy-2-methyl-6-(oxolan-3-yloxy)quinazolin-4-yl]amino]methyl]-4-methyl-1,3-thiazol-2-amine
CID 167227826
7-methoxy-2-methyl-6-[2-(oxetan-3-yloxy)ethoxy]-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146381

Frequently Asked Questions

What is the IUPAC name of N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-7-methoxy-2-methyl-6-[2-(oxolan-3-yl)propan-2-yloxy]quinazolin-4-amine?
The IUPAC name of 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) is N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-7-methoxy-2-methyl-6-[2-(oxolan-3-yl)propan-2-yloxy]quinazolin-4-amine.
What is the SMILES notation for N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-7-methoxy-2-methyl-6-[2-(oxolan-3-yl)propan-2-yloxy]quinazolin-4-amine?
The canonical SMILES for N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-7-methoxy-2-methyl-6-[2-(oxolan-3-yl)propan-2-yloxy]quinazolin-4-amine is COc1cc2nc(C)nc(NCc3cc(N)nc(C(F)(F)F)c3)c2cc1OC(C)(C)C1CCOC1.
What is the InChIKey of N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-7-methoxy-2-methyl-6-[2-(oxolan-3-yl)propan-2-yloxy]quinazolin-4-amine?
The InChIKey is PNEAKOSJHVKPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O3/c1-13-30-17-10-18(33-4)19(35-23(2,3)15-5-6-34-12-15)9-16(17)22(31-13)29-11-14-7-20(24(25,26)27)32-21(28)8-14/h7-10,15H,5-6,11-12H2,1-4H3,(H2,28,32)(H,29,30,31).
What are the key properties of N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-7-methoxy-2-methyl-6-[2-(oxolan-3-yl)propan-2-yloxy]quinazolin-4-amine?
N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-7-methoxy-2-methyl-6-[2-(oxolan-3-yl)propan-2-yloxy]quinazolin-4-amine has a molecular weight of 491.51 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-7-methoxy-2-methyl-6-[2-(oxolan-3-yl)propan-2-yloxy]quinazolin-4-amine is sourced from PubChem (CID 170146992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).