6-bromo-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]quinazolin-4-amine

C18H18BrFN4 — CID 133314883

IUPAC6-bromo-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]quinazolin-4-amine
SMILESCN(C)Cc1cc(CNc2ncnc3ccc(Br)cc23)ccc1F
InChIInChI=1S/C18H18BrFN4/c1-24(2)10-13-7-12(3-5-16(13)20)9-21-18-15-8-14(19)4-6-17(15)22-11-23-18/h3-8,11H,9-10H2,1-2H3,(H,21,22,23)
InChIKeyZCFMLGAIPCBMDQ-UHFFFAOYSA-N
MW389.27 g/mol
LogP4.21
Rot. Bonds5

About 6-bromo-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]quinazolin-4-amine

6-bromo-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]quinazolin-4-amine (PubChem CID 133314883) has the molecular formula C18H18BrFN4 and a molecular weight of 389.27 g/mol. Its IUPAC name is 6-bromo-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]quinazolin-4-amine
PubChem CID133314883
Molecular FormulaC18H18BrFN4
Molecular Weight389.27 g/mol
Exact Mass388.07
IUPAC Name6-bromo-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]quinazolin-4-amine
SMILESCN(C)Cc1cc(CNc2ncnc3ccc(Br)cc23)ccc1F
InChIInChI=1S/C18H18BrFN4/c1-24(2)10-13-7-12(3-5-16(13)20)9-21-18-15-8-14(19)4-6-17(15)22-11-23-18/h3-8,11H,9-10H2,1-2H3,(H,21,22,23)
InChIKeyZCFMLGAIPCBMDQ-UHFFFAOYSA-N
XLogP4.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133314889
N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine
CID 133292923
6-bromo-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]quinazolin-4-amine
CID 133431334
4-[[(6-bromoquinazolin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 86844952
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 166361250
6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 87021045
6-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine
CID 87021028
2-[3-[[(6-bromoquinazolin-4-yl)amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 87021134
6-bromo-N-[(3,5-difluoro-2-pyridinyl)methyl]quinazolin-4-amine
CID 155340154
5-[[(6-bromoquinazolin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 86816263
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-methylquinazolin-4-amine
CID 133411366
N-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine
CID 21002588

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]quinazolin-4-amine?
The IUPAC name of 6-bromo-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]quinazolin-4-amine (CID 133314883) is 6-bromo-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]quinazolin-4-amine is CN(C)Cc1cc(CNc2ncnc3ccc(Br)cc23)ccc1F.
What is the InChIKey of 6-bromo-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]quinazolin-4-amine?
The InChIKey is ZCFMLGAIPCBMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN4/c1-24(2)10-13-7-12(3-5-16(13)20)9-21-18-15-8-14(19)4-6-17(15)22-11-23-18/h3-8,11H,9-10H2,1-2H3,(H,21,22,23).
What are the key properties of 6-bromo-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]quinazolin-4-amine?
6-bromo-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]quinazolin-4-amine has a molecular weight of 389.27 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]quinazolin-4-amine is sourced from PubChem (CID 133314883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).