6-bromo-N-(cyclopropylmethyl)-N-ethylquinazolin-4-amine

C14H16BrN3 — CID 86946189

IUPAC6-bromo-N-(cyclopropylmethyl)-N-ethylquinazolin-4-amine
SMILESCCN(CC1CC1)c1ncnc2ccc(Br)cc12
InChIInChI=1S/C14H16BrN3/c1-2-18(8-10-3-4-10)14-12-7-11(15)5-6-13(12)16-9-17-14/h5-7,9-10H,2-4,8H2,1H3
InChIKeyTYEAQNFRLJBWTN-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.63
Rot. Bonds4

About 6-bromo-N-(cyclopropylmethyl)-N-ethylquinazolin-4-amine

6-bromo-N-(cyclopropylmethyl)-N-ethylquinazolin-4-amine (PubChem CID 86946189) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 6-bromo-N-(cyclopropylmethyl)-N-ethylquinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(cyclopropylmethyl)-N-ethylquinazolin-4-amine
PubChem CID86946189
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name6-bromo-N-(cyclopropylmethyl)-N-ethylquinazolin-4-amine
SMILESCCN(CC1CC1)c1ncnc2ccc(Br)cc12
InChIInChI=1S/C14H16BrN3/c1-2-18(8-10-3-4-10)14-12-7-11(15)5-6-13(12)16-9-17-14/h5-7,9-10H,2-4,8H2,1H3
InChIKeyTYEAQNFRLJBWTN-UHFFFAOYSA-N
XLogP3.63
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-fluoro-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]quinazolin-4-amine
CID 133428174
6-bromo-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
CID 133271711
N-(cyclopropylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133302138
5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-ethylaniline
CID 107083804
2-(1-aminoethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline
CID 82967886
3-[(6-bromoquinazolin-4-yl)-methylamino]propanenitrile
CID 133370502
6-chloro-N-(cyclopropylmethyl)-N-ethyl-5-propylpyrimidin-4-amine
CID 63956110
4-N-ethyl-4-N-(pyridin-4-ylmethyl)quinazoline-4,6-diamine
CID 64587906
5-bromo-3-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107400761
5-bromo-2-N-(cyclobutylmethyl)-2-N-ethylpyridine-2,3-diamine
CID 107397165
1-[5-bromo-2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanone
CID 82966661
6-bromo-N-[2-(cyclopropylmethoxy)ethyl]quinazolin-4-amine
CID 86900440

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(cyclopropylmethyl)-N-ethylquinazolin-4-amine?
The IUPAC name of 6-bromo-N-(cyclopropylmethyl)-N-ethylquinazolin-4-amine (CID 86946189) is 6-bromo-N-(cyclopropylmethyl)-N-ethylquinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(cyclopropylmethyl)-N-ethylquinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(cyclopropylmethyl)-N-ethylquinazolin-4-amine is CCN(CC1CC1)c1ncnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N-(cyclopropylmethyl)-N-ethylquinazolin-4-amine?
The InChIKey is TYEAQNFRLJBWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-2-18(8-10-3-4-10)14-12-7-11(15)5-6-13(12)16-9-17-14/h5-7,9-10H,2-4,8H2,1H3.
What are the key properties of 6-bromo-N-(cyclopropylmethyl)-N-ethylquinazolin-4-amine?
6-bromo-N-(cyclopropylmethyl)-N-ethylquinazolin-4-amine has a molecular weight of 306.21 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(cyclopropylmethyl)-N-ethylquinazolin-4-amine is sourced from PubChem (CID 86946189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).