6-bromo-N-[2-(cyclopropylmethoxy)ethyl]quinazolin-4-amine

C14H16BrN3O — CID 86900440

IUPAC6-bromo-N-[2-(cyclopropylmethoxy)ethyl]quinazolin-4-amine
SMILESBrc1ccc2ncnc(NCCOCC3CC3)c2c1
InChIInChI=1S/C14H16BrN3O/c15-11-3-4-13-12(7-11)14(18-9-17-13)16-5-6-19-8-10-1-2-10/h3-4,7,9-10H,1-2,5-6,8H2,(H,16,17,18)
InChIKeyNGNGEBAGGVGNCQ-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.23
Rot. Bonds6

About 6-bromo-N-[2-(cyclopropylmethoxy)ethyl]quinazolin-4-amine

6-bromo-N-[2-(cyclopropylmethoxy)ethyl]quinazolin-4-amine (PubChem CID 86900440) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 6-bromo-N-[2-(cyclopropylmethoxy)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[2-(cyclopropylmethoxy)ethyl]quinazolin-4-amine
PubChem CID86900440
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name6-bromo-N-[2-(cyclopropylmethoxy)ethyl]quinazolin-4-amine
SMILESBrc1ccc2ncnc(NCCOCC3CC3)c2c1
InChIInChI=1S/C14H16BrN3O/c15-11-3-4-13-12(7-11)14(18-9-17-13)16-5-6-19-8-10-1-2-10/h3-4,7,9-10H,1-2,5-6,8H2,(H,16,17,18)
InChIKeyNGNGEBAGGVGNCQ-UHFFFAOYSA-N
XLogP3.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-(3-cyclopentyloxypropyl)quinazolin-4-amine
CID 86873464
6-bromo-N-[(1,1-dioxothietan-3-yl)methyl]quinazolin-4-amine
CID 154763470
6-bromo-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinazolin-4-amine
CID 133459268
N-(6-bromoquinazolin-4-yl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 133277817
N-[2-(cyclopropylmethoxy)ethyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 114098263
N-[2-(cyclopropylmethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 113233517
6-bromo-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 728957
6-bromo-N-(4-pyrrolidin-1-ium-1-ylbutyl)quinazolin-4-amine
CID 2061539
N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 114098261
2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride
CID 18590558
2-[4-[3-[(6-bromoquinazolin-4-yl)amino]propyl]piperazin-1-yl]ethanol
CID 21002522
6-fluoro-N-[2-(2-methoxyethoxy)ethyl]quinazolin-4-amine
CID 133274665

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(cyclopropylmethoxy)ethyl]quinazolin-4-amine?
The IUPAC name of 6-bromo-N-[2-(cyclopropylmethoxy)ethyl]quinazolin-4-amine (CID 86900440) is 6-bromo-N-[2-(cyclopropylmethoxy)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-[2-(cyclopropylmethoxy)ethyl]quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-[2-(cyclopropylmethoxy)ethyl]quinazolin-4-amine is Brc1ccc2ncnc(NCCOCC3CC3)c2c1.
What is the InChIKey of 6-bromo-N-[2-(cyclopropylmethoxy)ethyl]quinazolin-4-amine?
The InChIKey is NGNGEBAGGVGNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c15-11-3-4-13-12(7-11)14(18-9-17-13)16-5-6-19-8-10-1-2-10/h3-4,7,9-10H,1-2,5-6,8H2,(H,16,17,18).
What are the key properties of 6-bromo-N-[2-(cyclopropylmethoxy)ethyl]quinazolin-4-amine?
6-bromo-N-[2-(cyclopropylmethoxy)ethyl]quinazolin-4-amine has a molecular weight of 322.21 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(cyclopropylmethoxy)ethyl]quinazolin-4-amine is sourced from PubChem (CID 86900440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).