5-bromo-6-cyclopropyl-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine

C13H18BrN3O — CID 66301720

IUPAC5-bromo-6-cyclopropyl-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine
SMILESCNc1nc(C2CCOCC2)nc(C2CC2)c1Br
InChIInChI=1S/C13H18BrN3O/c1-15-13-10(14)11(8-2-3-8)16-12(17-13)9-4-6-18-7-5-9/h8-9H,2-7H2,1H3,(H,15,16,17)
InChIKeyHFDRLMIONKYJRR-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.05
Rot. Bonds3

About 5-bromo-6-cyclopropyl-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine

5-bromo-6-cyclopropyl-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine (PubChem CID 66301720) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine
PubChem CID66301720
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name5-bromo-6-cyclopropyl-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine
SMILESCNc1nc(C2CCOCC2)nc(C2CC2)c1Br
InChIInChI=1S/C13H18BrN3O/c1-15-13-10(14)11(8-2-3-8)16-12(17-13)9-4-6-18-7-5-9/h8-9H,2-7H2,1H3,(H,15,16,17)
InChIKeyHFDRLMIONKYJRR-UHFFFAOYSA-N
XLogP3.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyl-5-iodo-N-methyl-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 66303801
5-bromo-N-ethyl-6-methyl-2-(oxan-4-yl)pyrimidin-4-amine
CID 66306278
5-bromo-6-cyclopropyl-N-methyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 66302948
5-iodo-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine
CID 66301879
2-(1,3-benzodioxol-5-yl)-5-bromo-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 66297835
5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine
CID 66304168
5-bromo-N-methyl-2-(oxolan-3-yl)pyrimidin-4-amine
CID 66302859
5-bromo-2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 114331016
5-bromo-6-cyclopropyl-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine
CID 66301916
5-bromo-6-cyclopropyl-N-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 66296102
5-bromo-2-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66300892
N-methyl-2-(oxan-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 65334670

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine (CID 66301720) is 5-bromo-6-cyclopropyl-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine is CNc1nc(C2CCOCC2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine?
The InChIKey is HFDRLMIONKYJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-15-13-10(14)11(8-2-3-8)16-12(17-13)9-4-6-18-7-5-9/h8-9H,2-7H2,1H3,(H,15,16,17).
What are the key properties of 5-bromo-6-cyclopropyl-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine?
5-bromo-6-cyclopropyl-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine has a molecular weight of 312.21 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 66301720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).