2-(4,5-dibromofuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine

C15H17Br2N3O — CID 63481187

IUPAC2-(4,5-dibromofuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCCNc1nc(-c2cc(Br)c(Br)o2)nc2c1CCCC2
InChIInChI=1S/C15H17Br2N3O/c1-2-7-18-14-9-5-3-4-6-11(9)19-15(20-14)12-8-10(16)13(17)21-12/h8H,2-7H2,1H3,(H,18,19,20)
InChIKeyKRJLJUAUZIKVKV-UHFFFAOYSA-N
MW415.13 g/mol
LogP4.96
Rot. Bonds4

About 2-(4,5-dibromofuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine

2-(4,5-dibromofuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 63481187) has the molecular formula C15H17Br2N3O and a molecular weight of 415.13 g/mol. Its IUPAC name is 2-(4,5-dibromofuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(4,5-dibromofuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID63481187
Molecular FormulaC15H17Br2N3O
Molecular Weight415.13 g/mol
Exact Mass412.97
IUPAC Name2-(4,5-dibromofuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCCNc1nc(-c2cc(Br)c(Br)o2)nc2c1CCCC2
InChIInChI=1S/C15H17Br2N3O/c1-2-7-18-14-9-5-3-4-6-11(9)19-15(20-14)12-8-10(16)13(17)21-12/h8H,2-7H2,1H3,(H,18,19,20)
InChIKeyKRJLJUAUZIKVKV-UHFFFAOYSA-N
XLogP4.96
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.13
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromofuran-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62203999
2-(4,5-dibromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62202837
N-propyl-2-pyrimidin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55045480
2-(4-bromo-3-fluorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 81442117
2-(3-bromo-4-chlorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 115568197
2-(4-ethylphenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63486449
2-phenyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62191758
2-(4-bromo-3-methylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 66479077
2-N,2-N-dimethyl-4-N-propyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 62191134
2-cycloheptyl-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 65399990
2-cyclopentyl-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63486512
2-(4,5-dibromothiophen-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472651

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromofuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(4,5-dibromofuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 63481187) is 2-(4,5-dibromofuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(4,5-dibromofuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(4,5-dibromofuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine is CCCNc1nc(-c2cc(Br)c(Br)o2)nc2c1CCCC2.
What is the InChIKey of 2-(4,5-dibromofuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is KRJLJUAUZIKVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2N3O/c1-2-7-18-14-9-5-3-4-6-11(9)19-15(20-14)12-8-10(16)13(17)21-12/h8H,2-7H2,1H3,(H,18,19,20).
What are the key properties of 2-(4,5-dibromofuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(4,5-dibromofuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 415.13 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromofuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 63481187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).