2-(4-bromo-3-methylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine

C17H20BrN3 — CID 66479077

IUPAC2-(4-bromo-3-methylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCNc1nc(-c2ccc(Br)c(C)c2)nc2c1CCCC2
InChIInChI=1S/C17H20BrN3/c1-3-19-17-13-6-4-5-7-15(13)20-16(21-17)12-8-9-14(18)11(2)10-12/h8-10H,3-7H2,1-2H3,(H,19,20,21)
InChIKeyGLSKAXPDVKFTAP-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.53
Rot. Bonds3

About 2-(4-bromo-3-methylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine

2-(4-bromo-3-methylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 66479077) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID66479077
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC Name2-(4-bromo-3-methylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCNc1nc(-c2ccc(Br)c(C)c2)nc2c1CCCC2
InChIInChI=1S/C17H20BrN3/c1-3-19-17-13-6-4-5-7-15(13)20-16(21-17)12-8-9-14(18)11(2)10-12/h8-10H,3-7H2,1-2H3,(H,19,20,21)
InChIKeyGLSKAXPDVKFTAP-UHFFFAOYSA-N
XLogP4.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63480001
2-(3-chloro-4-fluorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63485428
4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-fluorophenol
CID 136813751
2-(3-chlorophenyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63486503
2-(3,5-difluorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191823
2-(4-bromo-3-fluorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 81442117
3-[4-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol
CID 62202491
2-(2,4-dimethylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63480845
2-(3,4-dimethylphenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472702
2-(3-bromo-4-chlorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 115568197
2-(5-bromofuran-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62203999
N-ethyl-2-(5-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63485255

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(4-bromo-3-methylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 66479077) is 2-(4-bromo-3-methylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(4-bromo-3-methylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(4-bromo-3-methylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine is CCNc1nc(-c2ccc(Br)c(C)c2)nc2c1CCCC2.
What is the InChIKey of 2-(4-bromo-3-methylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is GLSKAXPDVKFTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c1-3-19-17-13-6-4-5-7-15(13)20-16(21-17)12-8-9-14(18)11(2)10-12/h8-10H,3-7H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(4-bromo-3-methylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(4-bromo-3-methylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 346.27 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 66479077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).