7-bromo-4-morpholin-4-ylquinazolin-2-amine

C12H13BrN4O — CID 133057180

IUPAC7-bromo-4-morpholin-4-ylquinazolin-2-amine
SMILESNc1nc(N2CCOCC2)c2ccc(Br)cc2n1
InChIInChI=1S/C12H13BrN4O/c13-8-1-2-9-10(7-8)15-12(14)16-11(9)17-3-5-18-6-4-17/h1-2,7H,3-6H2,(H2,14,15,16)
InChIKeyKLIPBPYSRXHRNE-UHFFFAOYSA-N
MW309.17 g/mol
LogP1.81
Rot. Bonds1

About 7-bromo-4-morpholin-4-ylquinazolin-2-amine

7-bromo-4-morpholin-4-ylquinazolin-2-amine (PubChem CID 133057180) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 7-bromo-4-morpholin-4-ylquinazolin-2-amine.

Molecular Properties

Compound Name7-bromo-4-morpholin-4-ylquinazolin-2-amine
PubChem CID133057180
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name7-bromo-4-morpholin-4-ylquinazolin-2-amine
SMILESNc1nc(N2CCOCC2)c2ccc(Br)cc2n1
InChIInChI=1S/C12H13BrN4O/c13-8-1-2-9-10(7-8)15-12(14)16-11(9)17-3-5-18-6-4-17/h1-2,7H,3-6H2,(H2,14,15,16)
InChIKeyKLIPBPYSRXHRNE-UHFFFAOYSA-N
XLogP1.81
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 114693019
4-(azepan-1-yl)-7-bromo-2-methylquinazoline
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2-chloro-4-morpholin-4-ylquinazolin-7-ol
CID 137308981
5-methyl-4,6-dimorpholin-4-ylpyrimidin-2-amine;dihydrochloride
CID 121396239
4-pyrrolidin-1-ylquinazolin-2-amine
CID 57342786
4-(1,4-oxazepan-4-yl)thieno[3,2-d]pyrimidin-2-amine
CID 112750461
4-(azepan-1-yl)quinazolin-2-amine
CID 80764088
7-(furan-2-yl)-4-piperazin-1-ylquinazolin-2-amine
CID 56835171
4-(2-chloro-7-pyrimidin-5-ylquinazolin-4-yl)morpholine
CID 86665759
5-bromo-2-(1,4-oxazepan-4-yl)aniline
CID 62988135
3-(4-fluorophenyl)-5-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazin-7-amine
CID 46846653
5-bromo-2-fluorobenzonitrile;5-bromo-2-morpholin-4-ylbenzonitrile
CID 162241536

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-morpholin-4-ylquinazolin-2-amine?
The IUPAC name of 7-bromo-4-morpholin-4-ylquinazolin-2-amine (CID 133057180) is 7-bromo-4-morpholin-4-ylquinazolin-2-amine.
What is the SMILES notation for 7-bromo-4-morpholin-4-ylquinazolin-2-amine?
The canonical SMILES for 7-bromo-4-morpholin-4-ylquinazolin-2-amine is Nc1nc(N2CCOCC2)c2ccc(Br)cc2n1.
What is the InChIKey of 7-bromo-4-morpholin-4-ylquinazolin-2-amine?
The InChIKey is KLIPBPYSRXHRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c13-8-1-2-9-10(7-8)15-12(14)16-11(9)17-3-5-18-6-4-17/h1-2,7H,3-6H2,(H2,14,15,16).
What are the key properties of 7-bromo-4-morpholin-4-ylquinazolin-2-amine?
7-bromo-4-morpholin-4-ylquinazolin-2-amine has a molecular weight of 309.17 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-morpholin-4-ylquinazolin-2-amine is sourced from PubChem (CID 133057180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).