5-bromo-4-methyl-N-(oxolan-3-yl)pyrimidin-2-amine

C9H12BrN3O — CID 131122958

IUPAC5-bromo-4-methyl-N-(oxolan-3-yl)pyrimidin-2-amine
SMILESCc1nc(NC2CCOC2)ncc1Br
InChIInChI=1S/C9H12BrN3O/c1-6-8(10)4-11-9(12-6)13-7-2-3-14-5-7/h4,7H,2-3,5H2,1H3,(H,11,12,13)
InChIKeyCWCPUQBZHHRIHM-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.75
Rot. Bonds2

About 5-bromo-4-methyl-N-(oxolan-3-yl)pyrimidin-2-amine

5-bromo-4-methyl-N-(oxolan-3-yl)pyrimidin-2-amine (PubChem CID 131122958) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(oxolan-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(oxolan-3-yl)pyrimidin-2-amine
PubChem CID131122958
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name5-bromo-4-methyl-N-(oxolan-3-yl)pyrimidin-2-amine
SMILESCc1nc(NC2CCOC2)ncc1Br
InChIInChI=1S/C9H12BrN3O/c1-6-8(10)4-11-9(12-6)13-7-2-3-14-5-7/h4,7H,2-3,5H2,1H3,(H,11,12,13)
InChIKeyCWCPUQBZHHRIHM-UHFFFAOYSA-N
XLogP1.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine
CID 115050366
N-(3-bicyclo[3.1.0]hexanyl)-5-bromo-4-methylpyrimidin-2-amine
CID 130791689
5-bromo-N-cyclohex-3-en-1-yl-4-methylpyrimidin-2-amine
CID 130900359
5-bromo-N-(4-chlorooxolan-3-yl)-4-methylpyrimidin-2-amine
CID 130854686
5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 169018423
N-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 175803601
5-fluoro-N-[(3R)-oxan-3-yl]pyrimidin-2-amine
CID 127015469
N-(5-bromo-4-methylpyrimidin-2-yl)morpholin-4-amine
CID 131080680
2-N-ethyl-5-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 80853565
5-methyl-N-(oxolan-3-yl)-1H-imidazol-2-amine
CID 106577304
5,6-dimethyl-2-N,4-N-bis[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 136585045
4-bromo-N-(oxan-3-yl)pyrimidin-2-amine
CID 115048116

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(oxolan-3-yl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methyl-N-(oxolan-3-yl)pyrimidin-2-amine (CID 131122958) is 5-bromo-4-methyl-N-(oxolan-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methyl-N-(oxolan-3-yl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methyl-N-(oxolan-3-yl)pyrimidin-2-amine is Cc1nc(NC2CCOC2)ncc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(oxolan-3-yl)pyrimidin-2-amine?
The InChIKey is CWCPUQBZHHRIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c1-6-8(10)4-11-9(12-6)13-7-2-3-14-5-7/h4,7H,2-3,5H2,1H3,(H,11,12,13).
What are the key properties of 5-bromo-4-methyl-N-(oxolan-3-yl)pyrimidin-2-amine?
5-bromo-4-methyl-N-(oxolan-3-yl)pyrimidin-2-amine has a molecular weight of 258.12 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(oxolan-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 131122958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).