N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-6-[6-fluoro-5-(methylamino)-3-pyridinyl]quinazolin-4-amine

C26H33FN6O — CID 121266090

IUPACN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-6-[6-fluoro-5-(methylamino)-3-pyridinyl]quinazolin-4-amine
SMILESCNc1cc(-c2ccc3ncnc(NC4CCC(N5C[C@@H](C)O[C@@H](C)C5)CC4)c3c2)cnc1F
InChIInChI=1S/C26H33FN6O/c1-16-13-33(14-17(2)34-16)21-7-5-20(6-8-21)32-26-22-10-18(4-9-23(22)30-15-31-26)19-11-24(28-3)25(27)29-12-19/h4,9-12,15-17,20-21,28H,5-8,13-14H2,1-3H3,(H,30,31,32)/t16-,17+,20?,21?
InChIKeyRIZXRNGNNOCOMW-AGXSTUJCSA-N
MW464.59 g/mol
LogP4.70
Rot. Bonds5

About N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-6-[6-fluoro-5-(methylamino)-3-pyridinyl]quinazolin-4-amine

N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-6-[6-fluoro-5-(methylamino)-3-pyridinyl]quinazolin-4-amine (PubChem CID 121266090) has the molecular formula C26H33FN6O and a molecular weight of 464.59 g/mol. Its IUPAC name is N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-6-[6-fluoro-5-(methylamino)-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-6-[6-fluoro-5-(methylamino)-3-pyridinyl]quinazolin-4-amine
PubChem CID121266090
Molecular FormulaC26H33FN6O
Molecular Weight464.59 g/mol
Exact Mass464.27
IUPAC NameN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-6-[6-fluoro-5-(methylamino)-3-pyridinyl]quinazolin-4-amine
SMILESCNc1cc(-c2ccc3ncnc(NC4CCC(N5C[C@@H](C)O[C@@H](C)C5)CC4)c3c2)cnc1F
InChIInChI=1S/C26H33FN6O/c1-16-13-33(14-17(2)34-16)21-7-5-20(6-8-21)32-26-22-10-18(4-9-23(22)30-15-31-26)19-11-24(28-3)25(27)29-12-19/h4,9-12,15-17,20-21,28H,5-8,13-14H2,1-3H3,(H,30,31,32)/t16-,17+,20?,21?
InChIKeyRIZXRNGNNOCOMW-AGXSTUJCSA-N
XLogP4.70
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
N-(4-{[(2-Methoxyethyl)amino]methyl}phenyl)-6-(Pyridin-4-Yl)quinazolin-2-Amine
CID 70702306
2-(ethoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 9983112
2-(methoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 10367774
2-(isopropoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030052
2-((2,6-dimethylmorpholino)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030066
2-(isopropoxymethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 22030187
2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 44587857
4-amino-6-[[(1S)-1-[6-fluoro-4-(2-methoxyethylamino)-3-phenylquinolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 49872835
4-Amino-6-[1-[6-fluoro-4-(2-hydroxyethylamino)-3-phenylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 49872924
2-[4-[6-[[5-Fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanol
CID 129202516
(3S,4R)-3-fluoro-1-[4-[[8-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-propan-2-ylisoquinolin-3-yl]amino]pyrimidin-2-yl]-3-methylpiperidin-4-ol
CID 166547287

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-6-[6-fluoro-5-(methylamino)-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-6-[6-fluoro-5-(methylamino)-3-pyridinyl]quinazolin-4-amine (CID 121266090) is N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-6-[6-fluoro-5-(methylamino)-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-6-[6-fluoro-5-(methylamino)-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-6-[6-fluoro-5-(methylamino)-3-pyridinyl]quinazolin-4-amine is CNc1cc(-c2ccc3ncnc(NC4CCC(N5C[C@@H](C)O[C@@H](C)C5)CC4)c3c2)cnc1F.
What is the InChIKey of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-6-[6-fluoro-5-(methylamino)-3-pyridinyl]quinazolin-4-amine?
The InChIKey is RIZXRNGNNOCOMW-AGXSTUJCSA-N. The full InChI is InChI=1S/C26H33FN6O/c1-16-13-33(14-17(2)34-16)21-7-5-20(6-8-21)32-26-22-10-18(4-9-23(22)30-15-31-26)19-11-24(28-3)25(27)29-12-19/h4,9-12,15-17,20-21,28H,5-8,13-14H2,1-3H3,(H,30,31,32)/t16-,17+,20?,21?.
What are the key properties of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-6-[6-fluoro-5-(methylamino)-3-pyridinyl]quinazolin-4-amine?
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-6-[6-fluoro-5-(methylamino)-3-pyridinyl]quinazolin-4-amine has a molecular weight of 464.59 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-6-[6-fluoro-5-(methylamino)-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 121266090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).