N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-6-morpholin-4-ylquinazolin-4-amine

C18H20F2N6O — CID 167988103

IUPACN-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-6-morpholin-4-ylquinazolin-4-amine
SMILESCc1nn(C(F)F)c(C)c1Nc1ncnc2ccc(N3CCOCC3)cc12
InChIInChI=1S/C18H20F2N6O/c1-11-16(12(2)26(24-11)18(19)20)23-17-14-9-13(25-5-7-27-8-6-25)3-4-15(14)21-10-22-17/h3-4,9-10,18H,5-8H2,1-2H3,(H,21,22,23)
InChIKeyXVFKCZBKBMLMID-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.42
Rot. Bonds4

About N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-6-morpholin-4-ylquinazolin-4-amine

N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-6-morpholin-4-ylquinazolin-4-amine (PubChem CID 167988103) has the molecular formula C18H20F2N6O and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-6-morpholin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-6-morpholin-4-ylquinazolin-4-amine
PubChem CID167988103
Molecular FormulaC18H20F2N6O
Molecular Weight374.40 g/mol
Exact Mass374.17
IUPAC NameN-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-6-morpholin-4-ylquinazolin-4-amine
SMILESCc1nn(C(F)F)c(C)c1Nc1ncnc2ccc(N3CCOCC3)cc12
InChIInChI=1S/C18H20F2N6O/c1-11-16(12(2)26(24-11)18(19)20)23-17-14-9-13(25-5-7-27-8-6-25)3-4-15(14)21-10-22-17/h3-4,9-10,18H,5-8H2,1-2H3,(H,21,22,23)
InChIKeyXVFKCZBKBMLMID-UHFFFAOYSA-N
XLogP3.42
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-6-morpholin-4-ylquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-morpholin-4-yl-N-propylquinazolin-4-amine
CID 56942638
ethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 143267063
6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 15956172
6-[4-(diethylamino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 68878121
N-[1-(6-methoxy-3-pyridinyl)ethyl]-6-morpholin-4-ylquinazolin-4-amine
CID 166284258
6-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine
CID 132609713
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-morpholin-4-ylphenyl)acetamide
CID 48679820
2-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 90920909
6-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylquinazolin-4-amine
CID 166381198
3-[4-[4-[3-methyl-4-[(3R)-oxan-3-yl]oxyanilino]quinazolin-6-yl]piperazin-1-yl]prop-2-enal
CID 174055982
6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 69177666
4-[4-(6-bromoquinazolin-4-yl)phenyl]morpholine
CID 170641265

Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-6-morpholin-4-ylquinazolin-4-amine?
The IUPAC name of N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-6-morpholin-4-ylquinazolin-4-amine (CID 167988103) is N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-6-morpholin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-6-morpholin-4-ylquinazolin-4-amine?
The canonical SMILES for N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-6-morpholin-4-ylquinazolin-4-amine is Cc1nn(C(F)F)c(C)c1Nc1ncnc2ccc(N3CCOCC3)cc12.
What is the InChIKey of N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-6-morpholin-4-ylquinazolin-4-amine?
The InChIKey is XVFKCZBKBMLMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N6O/c1-11-16(12(2)26(24-11)18(19)20)23-17-14-9-13(25-5-7-27-8-6-25)3-4-15(14)21-10-22-17/h3-4,9-10,18H,5-8H2,1-2H3,(H,21,22,23).
What are the key properties of N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-6-morpholin-4-ylquinazolin-4-amine?
N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-6-morpholin-4-ylquinazolin-4-amine has a molecular weight of 374.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-6-morpholin-4-ylquinazolin-4-amine is sourced from PubChem (CID 167988103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).