N-(5-bromo-4-methylpyrimidin-2-yl)morpholin-4-amine

C9H13BrN4O — CID 131080680

IUPACN-(5-bromo-4-methylpyrimidin-2-yl)morpholin-4-amine
SMILESCc1nc(NN2CCOCC2)ncc1Br
InChIInChI=1S/C9H13BrN4O/c1-7-8(10)6-11-9(12-7)13-14-2-4-15-5-3-14/h6H,2-5H2,1H3,(H,11,12,13)
InChIKeyJDRDYJXRBBFNEL-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.21
Rot. Bonds2

About N-(5-bromo-4-methylpyrimidin-2-yl)morpholin-4-amine

N-(5-bromo-4-methylpyrimidin-2-yl)morpholin-4-amine (PubChem CID 131080680) has the molecular formula C9H13BrN4O and a molecular weight of 273.13 g/mol. Its IUPAC name is N-(5-bromo-4-methylpyrimidin-2-yl)morpholin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-4-methylpyrimidin-2-yl)morpholin-4-amine
PubChem CID131080680
Molecular FormulaC9H13BrN4O
Molecular Weight273.13 g/mol
Exact Mass272.03
IUPAC NameN-(5-bromo-4-methylpyrimidin-2-yl)morpholin-4-amine
SMILESCc1nc(NN2CCOCC2)ncc1Br
InChIInChI=1S/C9H13BrN4O/c1-7-8(10)6-11-9(12-7)13-14-2-4-15-5-3-14/h6H,2-5H2,1H3,(H,11,12,13)
InChIKeyJDRDYJXRBBFNEL-UHFFFAOYSA-N
XLogP1.21
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-N-morpholin-4-ylpyrimidine-2,4-diamine
CID 83027626
5-bromo-4-methyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 131122958
N-(3-bicyclo[3.1.0]hexanyl)-5-bromo-4-methylpyrimidin-2-amine
CID 130791689
2-N-morpholin-4-yl-5-nitropyrimidine-2,4-diamine
CID 56762510
5-bromo-N-(4-chlorooxolan-3-yl)-4-methylpyrimidin-2-amine
CID 130854686
5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine
CID 115050366
N-(2-methylpyrimidin-4-yl)morpholin-4-amine
CID 83025498
N-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-4-amine
CID 83026552
N-(5-bromo-4-methylpyrimidin-2-yl)methanesulfonamide
CID 67280006
5-chloro-2-N-ethyl-4-N-morpholin-4-ylpyrimidine-2,4-diamine
CID 83027231
N-(6-methylpyridazin-3-yl)morpholin-4-amine
CID 83026554
N-(4-methyl-6-propoxypyrimidin-2-yl)morpholin-4-amine
CID 112638451

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methylpyrimidin-2-yl)morpholin-4-amine?
The IUPAC name of N-(5-bromo-4-methylpyrimidin-2-yl)morpholin-4-amine (CID 131080680) is N-(5-bromo-4-methylpyrimidin-2-yl)morpholin-4-amine.
What is the SMILES notation for N-(5-bromo-4-methylpyrimidin-2-yl)morpholin-4-amine?
The canonical SMILES for N-(5-bromo-4-methylpyrimidin-2-yl)morpholin-4-amine is Cc1nc(NN2CCOCC2)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methylpyrimidin-2-yl)morpholin-4-amine?
The InChIKey is JDRDYJXRBBFNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O/c1-7-8(10)6-11-9(12-7)13-14-2-4-15-5-3-14/h6H,2-5H2,1H3,(H,11,12,13).
What are the key properties of N-(5-bromo-4-methylpyrimidin-2-yl)morpholin-4-amine?
N-(5-bromo-4-methylpyrimidin-2-yl)morpholin-4-amine has a molecular weight of 273.13 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methylpyrimidin-2-yl)morpholin-4-amine is sourced from PubChem (CID 131080680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).