6-bromo-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinazolin-4-amine

C14H16BrN3O2 — CID 133459268

IUPAC6-bromo-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinazolin-4-amine
SMILESCC1(CCNc2ncnc3ccc(Br)cc23)OCCO1
InChIInChI=1S/C14H16BrN3O2/c1-14(19-6-7-20-14)4-5-16-13-11-8-10(15)2-3-12(11)17-9-18-13/h2-3,8-9H,4-7H2,1H3,(H,16,17,18)
InChIKeyCJVYDWBQLKDJCK-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.96
Rot. Bonds4

About 6-bromo-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinazolin-4-amine

6-bromo-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinazolin-4-amine (PubChem CID 133459268) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.20 g/mol. Its IUPAC name is 6-bromo-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinazolin-4-amine
PubChem CID133459268
Molecular FormulaC14H16BrN3O2
Molecular Weight338.20 g/mol
Exact Mass337.04
IUPAC Name6-bromo-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinazolin-4-amine
SMILESCC1(CCNc2ncnc3ccc(Br)cc23)OCCO1
InChIInChI=1S/C14H16BrN3O2/c1-14(19-6-7-20-14)4-5-16-13-11-8-10(15)2-3-12(11)17-9-18-13/h2-3,8-9H,4-7H2,1H3,(H,16,17,18)
InChIKeyCJVYDWBQLKDJCK-UHFFFAOYSA-N
XLogP2.96
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 728957
N-(6-bromoquinazolin-4-yl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 133277817
4-[[(6-bromoquinazolin-4-yl)amino]methyl]oxan-4-ol
CID 86946176
6-bromo-N-[2-(cyclopropylmethoxy)ethyl]quinazolin-4-amine
CID 86900440
1-[4-[2-[(6-bromoquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
CID 87021064
6-bromo-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-4-amine
CID 133324802
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-(4-pyrrolidin-1-ium-1-ylbutyl)quinazolin-4-amine
CID 2061539
6-bromo-N-[2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-amine
CID 67619024
6-bromo-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine
CID 133327454
2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride
CID 18590558

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 6-bromo-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinazolin-4-amine (CID 133459268) is 6-bromo-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinazolin-4-amine is CC1(CCNc2ncnc3ccc(Br)cc23)OCCO1.
What is the InChIKey of 6-bromo-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinazolin-4-amine?
The InChIKey is CJVYDWBQLKDJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-14(19-6-7-20-14)4-5-16-13-11-8-10(15)2-3-12(11)17-9-18-13/h2-3,8-9H,4-7H2,1H3,(H,16,17,18).
What are the key properties of 6-bromo-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinazolin-4-amine?
6-bromo-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinazolin-4-amine has a molecular weight of 338.20 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 133459268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).