6-N-[(2,6-dimethylphenyl)methyl]-7-fluoro-4-N,4-N-dimethyl-2-pyrazol-1-ylquinazoline-4,6-diamine

C22H23FN6 — CID 141320604

IUPAC6-N-[(2,6-dimethylphenyl)methyl]-7-fluoro-4-N,4-N-dimethyl-2-pyrazol-1-ylquinazoline-4,6-diamine
SMILESCc1cccc(C)c1CNc1cc2c(N(C)C)nc(-n3cccn3)nc2cc1F
InChIInChI=1S/C22H23FN6/c1-14-7-5-8-15(2)17(14)13-24-20-11-16-19(12-18(20)23)26-22(27-21(16)28(3)4)29-10-6-9-25-29/h5-12,24H,13H2,1-4H3
InChIKeyKNVWCCKGNCKRQH-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.25
Rot. Bonds5

About 6-N-[(2,6-dimethylphenyl)methyl]-7-fluoro-4-N,4-N-dimethyl-2-pyrazol-1-ylquinazoline-4,6-diamine

6-N-[(2,6-dimethylphenyl)methyl]-7-fluoro-4-N,4-N-dimethyl-2-pyrazol-1-ylquinazoline-4,6-diamine (PubChem CID 141320604) has the molecular formula C22H23FN6 and a molecular weight of 390.47 g/mol. Its IUPAC name is 6-N-[(2,6-dimethylphenyl)methyl]-7-fluoro-4-N,4-N-dimethyl-2-pyrazol-1-ylquinazoline-4,6-diamine.

Molecular Properties

Compound Name6-N-[(2,6-dimethylphenyl)methyl]-7-fluoro-4-N,4-N-dimethyl-2-pyrazol-1-ylquinazoline-4,6-diamine
PubChem CID141320604
Molecular FormulaC22H23FN6
Molecular Weight390.47 g/mol
Exact Mass390.20
IUPAC Name6-N-[(2,6-dimethylphenyl)methyl]-7-fluoro-4-N,4-N-dimethyl-2-pyrazol-1-ylquinazoline-4,6-diamine
SMILESCc1cccc(C)c1CNc1cc2c(N(C)C)nc(-n3cccn3)nc2cc1F
InChIInChI=1S/C22H23FN6/c1-14-7-5-8-15(2)17(14)13-24-20-11-16-19(12-18(20)23)26-22(27-21(16)28(3)4)29-10-6-9-25-29/h5-12,24H,13H2,1-4H3
InChIKeyKNVWCCKGNCKRQH-UHFFFAOYSA-N
XLogP4.25
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-N-[(2,6-dimethylphenyl)methyl]-7-fluoro-4-N,4-N-dimethyl-2-pyrazol-1-ylquinazoline-4,6-diamine with MolForge

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Related Compounds

1-[6-[(2,6-dimethylphenyl)methylamino]-7-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl]pyrazole-4-carboxylic acid
CID 66747407
6-cyclohexyloxy-7-fluoro-N,N-dimethyl-2-pyrazol-1-ylquinazolin-4-amine
CID 141320631
N,N-dimethyl-6-phenyl-2-pyrazol-1-ylquinazolin-4-amine
CID 118000646
N,N-dimethyl-6-propan-2-yl-2-pyrazol-1-ylquinazolin-4-amine
CID 66749760
N-[(2,6-dimethylphenyl)methyl]-4-morpholin-4-yl-2-pyrazol-1-ylquinazolin-6-amine
CID 174691302
N-[(2,6-difluorophenyl)methyl]-2,3-dimethyl-6-pyrazol-1-ylimidazo[1,2-a]pyridin-8-amine
CID 24888312
2-fluoro-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 43230038
N-[(4-fluoro-3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 62122481
4-[(2,6-dimethylphenyl)methylamino]-3-fluorobenzonitrile
CID 81333601
N,N-diethyl-6-phenoxy-2-pyrazol-1-ylquinazolin-4-amine
CID 118000652
N-[(2,6-dimethyl-3-pyridinyl)methyl]-2-methyl-4-pyrazol-1-ylaniline
CID 119045900
3-fluoro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline
CID 63453660

Frequently Asked Questions

What is the IUPAC name of 6-N-[(2,6-dimethylphenyl)methyl]-7-fluoro-4-N,4-N-dimethyl-2-pyrazol-1-ylquinazoline-4,6-diamine?
The IUPAC name of 6-N-[(2,6-dimethylphenyl)methyl]-7-fluoro-4-N,4-N-dimethyl-2-pyrazol-1-ylquinazoline-4,6-diamine (CID 141320604) is 6-N-[(2,6-dimethylphenyl)methyl]-7-fluoro-4-N,4-N-dimethyl-2-pyrazol-1-ylquinazoline-4,6-diamine.
What is the SMILES notation for 6-N-[(2,6-dimethylphenyl)methyl]-7-fluoro-4-N,4-N-dimethyl-2-pyrazol-1-ylquinazoline-4,6-diamine?
The canonical SMILES for 6-N-[(2,6-dimethylphenyl)methyl]-7-fluoro-4-N,4-N-dimethyl-2-pyrazol-1-ylquinazoline-4,6-diamine is Cc1cccc(C)c1CNc1cc2c(N(C)C)nc(-n3cccn3)nc2cc1F.
What is the InChIKey of 6-N-[(2,6-dimethylphenyl)methyl]-7-fluoro-4-N,4-N-dimethyl-2-pyrazol-1-ylquinazoline-4,6-diamine?
The InChIKey is KNVWCCKGNCKRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6/c1-14-7-5-8-15(2)17(14)13-24-20-11-16-19(12-18(20)23)26-22(27-21(16)28(3)4)29-10-6-9-25-29/h5-12,24H,13H2,1-4H3.
What are the key properties of 6-N-[(2,6-dimethylphenyl)methyl]-7-fluoro-4-N,4-N-dimethyl-2-pyrazol-1-ylquinazoline-4,6-diamine?
6-N-[(2,6-dimethylphenyl)methyl]-7-fluoro-4-N,4-N-dimethyl-2-pyrazol-1-ylquinazoline-4,6-diamine has a molecular weight of 390.47 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2,6-dimethylphenyl)methyl]-7-fluoro-4-N,4-N-dimethyl-2-pyrazol-1-ylquinazoline-4,6-diamine is sourced from PubChem (CID 141320604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).