4-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methylamino]-6-(2-methoxyethoxy)-2-methylquinazoline-7-carbonitrile

C20H19F3N6O2 — CID 170146194

IUPAC4-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methylamino]-6-(2-methoxyethoxy)-2-methylquinazoline-7-carbonitrile
SMILESCOCCOc1cc2c(NCc3cc(N)nc(C(F)(F)F)c3)nc(C)nc2cc1C#N
InChIInChI=1S/C20H19F3N6O2/c1-11-27-15-7-13(9-24)16(31-4-3-30-2)8-14(15)19(28-11)26-10-12-5-17(20(21,22)23)29-18(25)6-12/h5-8H,3-4,10H2,1-2H3,(H2,25,29)(H,26,27,28)
InChIKeyZCVBWEGLIFYBNU-UHFFFAOYSA-N
MW432.41 g/mol
LogP3.44
Rot. Bonds7

About 4-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methylamino]-6-(2-methoxyethoxy)-2-methylquinazoline-7-carbonitrile

4-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methylamino]-6-(2-methoxyethoxy)-2-methylquinazoline-7-carbonitrile (PubChem CID 170146194) has the molecular formula C20H19F3N6O2 and a molecular weight of 432.41 g/mol. Its IUPAC name is 4-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methylamino]-6-(2-methoxyethoxy)-2-methylquinazoline-7-carbonitrile.

Molecular Properties

Compound Name4-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methylamino]-6-(2-methoxyethoxy)-2-methylquinazoline-7-carbonitrile
PubChem CID170146194
Molecular FormulaC20H19F3N6O2
Molecular Weight432.41 g/mol
Exact Mass432.15
IUPAC Name4-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methylamino]-6-(2-methoxyethoxy)-2-methylquinazoline-7-carbonitrile
SMILESCOCCOc1cc2c(NCc3cc(N)nc(C(F)(F)F)c3)nc(C)nc2cc1C#N
InChIInChI=1S/C20H19F3N6O2/c1-11-27-15-7-13(9-24)16(31-4-3-30-2)8-14(15)19(28-11)26-10-12-5-17(20(21,22)23)29-18(25)6-12/h5-8H,3-4,10H2,1-2H3,(H2,25,29)(H,26,27,28)
InChIKeyZCVBWEGLIFYBNU-UHFFFAOYSA-N
XLogP3.44
TPSA118.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
3-[(2-Amino-4-Methylquinolin-7-Yl)methoxy]-5-[(Methylamino)methyl]benzonitrile
CID 124136858
N-{4-[(4-{[4-(benzyloxy)phenyl]amino}quinazolin-6-yl)oxy]butyl}-2,2,2-trifluoroacetamide
CID 5329488
N-(2-((dimethylamino)methyl)-4-(3-(piperidin-1-yl)propoxy)phenyl)quinazolin-4-amine
CID 23628252
1-[2-(3-Cyano-6-ethoxy-quinolin-2-ylamino)-ethyl]-3-m-tolyl-urea
CID 646981
N*2*-(4-Fluoro-2-methyl-phenyl)-N*4*-methyl-6-(3-morpholin-4-yl-propoxy)-N*4*-phenyl-quinazoline-2,4-diamine
CID 10255469
6-[2-(dimethylamino)ethoxy]-2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine
CID 10343486
6-[3-(dimethylamino)propoxy]-2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine
CID 10389486
4-(6-Methoxy-7-methyl-quinazolin-4-yl)-piperazine-1-carboxylic acid (4-phenoxy-phenyl)-amide
CID 11155618
N-(2,6-difluorophenyl)-4-(4-(6-methoxyquinazolin-4-ylamino)-2-methylphenoxy)piperidine-1-carboxamide
CID 11272368
4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-methylquinazolin-2-amine
CID 71542893
3-[[4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazolin-2-yl]amino]propan-1-ol
CID 117988568

Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methylamino]-6-(2-methoxyethoxy)-2-methylquinazoline-7-carbonitrile?
The IUPAC name of 4-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methylamino]-6-(2-methoxyethoxy)-2-methylquinazoline-7-carbonitrile (CID 170146194) is 4-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methylamino]-6-(2-methoxyethoxy)-2-methylquinazoline-7-carbonitrile.
What is the SMILES notation for 4-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methylamino]-6-(2-methoxyethoxy)-2-methylquinazoline-7-carbonitrile?
The canonical SMILES for 4-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methylamino]-6-(2-methoxyethoxy)-2-methylquinazoline-7-carbonitrile is COCCOc1cc2c(NCc3cc(N)nc(C(F)(F)F)c3)nc(C)nc2cc1C#N.
What is the InChIKey of 4-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methylamino]-6-(2-methoxyethoxy)-2-methylquinazoline-7-carbonitrile?
The InChIKey is ZCVBWEGLIFYBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O2/c1-11-27-15-7-13(9-24)16(31-4-3-30-2)8-14(15)19(28-11)26-10-12-5-17(20(21,22)23)29-18(25)6-12/h5-8H,3-4,10H2,1-2H3,(H2,25,29)(H,26,27,28).
What are the key properties of 4-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methylamino]-6-(2-methoxyethoxy)-2-methylquinazoline-7-carbonitrile?
4-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methylamino]-6-(2-methoxyethoxy)-2-methylquinazoline-7-carbonitrile has a molecular weight of 432.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methylamino]-6-(2-methoxyethoxy)-2-methylquinazoline-7-carbonitrile is sourced from PubChem (CID 170146194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).