N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-methylquinazolin-4-amine

C19H21FN4 — CID 133411366

IUPACN-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-methylquinazolin-4-amine
SMILESCc1cccc2ncnc(NCc3ccc(CN(C)C)c(F)c3)c12
InChIInChI=1S/C19H21FN4/c1-13-5-4-6-17-18(13)19(23-12-22-17)21-10-14-7-8-15(11-24(2)3)16(20)9-14/h4-9,12H,10-11H2,1-3H3,(H,21,22,23)
InChIKeyMCKBTGBNLISMKS-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.75
Rot. Bonds5

About N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-methylquinazolin-4-amine

N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-methylquinazolin-4-amine (PubChem CID 133411366) has the molecular formula C19H21FN4 and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-methylquinazolin-4-amine
PubChem CID133411366
Molecular FormulaC19H21FN4
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC NameN-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-methylquinazolin-4-amine
SMILESCc1cccc2ncnc(NCc3ccc(CN(C)C)c(F)c3)c12
InChIInChI=1S/C19H21FN4/c1-13-5-4-6-17-18(13)19(23-12-22-17)21-10-14-7-8-15(11-24(2)3)16(20)9-14/h4-9,12H,10-11H2,1-3H3,(H,21,22,23)
InChIKeyMCKBTGBNLISMKS-UHFFFAOYSA-N
XLogP3.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-2-methylquinolin-4-amine
CID 133411285
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-amine
CID 133411326
6-bromo-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]quinazolin-4-amine
CID 133314883
5-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]quinazolin-4-amine
CID 133422616
methyl 4-fluoro-3-[[(5-methylquinazolin-4-yl)amino]methyl]benzoate
CID 133449673
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine
CID 133411361
4-[2-[(5-methylquinazolin-4-yl)amino]ethyl]benzene-1,2-diol
CID 133349192
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133411376
5-fluoro-N-[(3-methoxy-4-propoxyphenyl)methyl]quinazolin-4-amine
CID 55854206
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 133411320
1-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-methoxymethanamine
CID 117303185
5-methyl-N-pentylquinazolin-4-amine
CID 25175828

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-methylquinazolin-4-amine?
The IUPAC name of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-methylquinazolin-4-amine (CID 133411366) is N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-methylquinazolin-4-amine.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-methylquinazolin-4-amine?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-methylquinazolin-4-amine is Cc1cccc2ncnc(NCc3ccc(CN(C)C)c(F)c3)c12.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-methylquinazolin-4-amine?
The InChIKey is MCKBTGBNLISMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4/c1-13-5-4-6-17-18(13)19(23-12-22-17)21-10-14-7-8-15(11-24(2)3)16(20)9-14/h4-9,12H,10-11H2,1-3H3,(H,21,22,23).
What are the key properties of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-methylquinazolin-4-amine?
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-methylquinazolin-4-amine has a molecular weight of 324.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-methylquinazolin-4-amine is sourced from PubChem (CID 133411366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).