6-bromo-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]quinazolin-4-amine

C18H20BrN5O — CID 133431334

IUPAC6-bromo-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]quinazolin-4-amine
SMILESCN(C)CCOc1cc(CNc2ncnc3ccc(Br)cc23)ccn1
InChIInChI=1S/C18H20BrN5O/c1-24(2)7-8-25-17-9-13(5-6-20-17)11-21-18-15-10-14(19)3-4-16(15)22-12-23-18/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,21,22,23)
InChIKeyBPKHFEYBRSXNIK-UHFFFAOYSA-N
MW402.30 g/mol
LogP3.34
Rot. Bonds7

About 6-bromo-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]quinazolin-4-amine

6-bromo-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]quinazolin-4-amine (PubChem CID 133431334) has the molecular formula C18H20BrN5O and a molecular weight of 402.30 g/mol. Its IUPAC name is 6-bromo-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]quinazolin-4-amine
PubChem CID133431334
Molecular FormulaC18H20BrN5O
Molecular Weight402.30 g/mol
Exact Mass401.09
IUPAC Name6-bromo-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]quinazolin-4-amine
SMILESCN(C)CCOc1cc(CNc2ncnc3ccc(Br)cc23)ccn1
InChIInChI=1S/C18H20BrN5O/c1-24(2)7-8-25-17-9-13(5-6-20-17)11-21-18-15-10-14(19)3-4-16(15)22-12-23-18/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,21,22,23)
InChIKeyBPKHFEYBRSXNIK-UHFFFAOYSA-N
XLogP3.34
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]quinazolin-4-amine
CID 133314883
N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-amine
CID 133431338
2-[3-[[(6-bromoquinazolin-4-yl)amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 87021134
N-[(3-bromophenyl)methyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine
CID 146212990
4-[[(6-bromoquinazolin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 86844952
2-chloro-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167947731
N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 167886592
6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 87021045
N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]thieno[3,2-b]pyridin-7-amine
CID 133431380
N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133462199
2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-3H-quinazolin-4-one
CID 137272351
6-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine
CID 87021028

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]quinazolin-4-amine?
The IUPAC name of 6-bromo-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]quinazolin-4-amine (CID 133431334) is 6-bromo-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]quinazolin-4-amine is CN(C)CCOc1cc(CNc2ncnc3ccc(Br)cc23)ccn1.
What is the InChIKey of 6-bromo-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]quinazolin-4-amine?
The InChIKey is BPKHFEYBRSXNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN5O/c1-24(2)7-8-25-17-9-13(5-6-20-17)11-21-18-15-10-14(19)3-4-16(15)22-12-23-18/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,21,22,23).
What are the key properties of 6-bromo-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]quinazolin-4-amine?
6-bromo-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]quinazolin-4-amine has a molecular weight of 402.30 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]quinazolin-4-amine is sourced from PubChem (CID 133431334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).