5-bromo-6-cyclopropyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine

C13H18BrN3O — CID 80681182

IUPAC5-bromo-6-cyclopropyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
SMILESCC1(c2nc(N)c(Br)c(C3CC3)n2)CCCCO1
InChIInChI=1S/C13H18BrN3O/c1-13(6-2-3-7-18-13)12-16-10(8-4-5-8)9(14)11(15)17-12/h8H,2-7H2,1H3,(H2,15,16,17)
InChIKeyMXRKWRFIOBYKBO-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.11
Rot. Bonds2

About 5-bromo-6-cyclopropyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine

5-bromo-6-cyclopropyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine (PubChem CID 80681182) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
PubChem CID80681182
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name5-bromo-6-cyclopropyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
SMILESCC1(c2nc(N)c(Br)c(C3CC3)n2)CCCCO1
InChIInChI=1S/C13H18BrN3O/c1-13(6-2-3-7-18-13)12-16-10(8-4-5-8)9(14)11(15)17-12/h8H,2-7H2,1H3,(H2,15,16,17)
InChIKeyMXRKWRFIOBYKBO-UHFFFAOYSA-N
XLogP3.11
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine
CID 80681180
5-bromo-2-(2-methyloxan-2-yl)-6-phenylpyrimidin-4-amine
CID 80683733
4-cyclopropyl-2-(2-methyloxan-2-yl)pyrimidine-5-carboxylic acid
CID 80681633
6-ethyl-5-iodo-2-(2-methyloxan-2-yl)pyrimidin-4-amine
CID 80680945
2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 80681411
4-(2-methyloxan-2-yl)-1,3,5-triazin-2-amine
CID 80681823
5-bromo-6-cyclopropyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine
CID 66304571
4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114360216
2-(2-methyloxolan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190424
4-amino-6-methyl-2-(2-methyloxolan-2-yl)pyrimidine-5-carbonitrile
CID 116647144
5-bromo-N-methyl-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine
CID 80681256
N-[[4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367687

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine (CID 80681182) is 5-bromo-6-cyclopropyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine is CC1(c2nc(N)c(Br)c(C3CC3)n2)CCCCO1.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine?
The InChIKey is MXRKWRFIOBYKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-13(6-2-3-7-18-13)12-16-10(8-4-5-8)9(14)11(15)17-12/h8H,2-7H2,1H3,(H2,15,16,17).
What are the key properties of 5-bromo-6-cyclopropyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine?
5-bromo-6-cyclopropyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine has a molecular weight of 312.21 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80681182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).