5-bromo-6-cyclopropyl-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine

C11H16BrN3O — CID 66301916

IUPAC5-bromo-6-cyclopropyl-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(CCOC)nc(C2CC2)c1Br
InChIInChI=1S/C11H16BrN3O/c1-13-11-9(12)10(7-3-4-7)14-8(15-11)5-6-16-2/h7H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyFEVUFODUXAHFEU-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.35
Rot. Bonds5

About 5-bromo-6-cyclopropyl-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine

5-bromo-6-cyclopropyl-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine (PubChem CID 66301916) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine
PubChem CID66301916
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-bromo-6-cyclopropyl-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(CCOC)nc(C2CC2)c1Br
InChIInChI=1S/C11H16BrN3O/c1-13-11-9(12)10(7-3-4-7)14-8(15-11)5-6-16-2/h7H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyFEVUFODUXAHFEU-UHFFFAOYSA-N
XLogP2.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]-N-methylpyrimidin-4-amine
CID 102928957
5-bromo-6-cyclopropyl-2-[2-(diethylamino)ethyl]-N-methylpyrimidin-4-amine
CID 66303763
5-bromo-6-cyclopropyl-N-methyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 66302948
5-bromo-6-cyclopropyl-2-[(3,5-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine
CID 66302748
5-bromo-6-cyclopropyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
CID 66304180
5-bromo-6-cyclopropyl-N-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66304381
5-bromo-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-propylpyrimidin-4-amine
CID 103150464
5-bromo-6-cyclopentyl-2-(3-methoxypropyl)pyrimidin-4-amine
CID 113390490
6-ethyl-5-iodo-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine
CID 66300059
5-bromo-6-cyclopropyl-2-(propoxymethyl)-N-propylpyrimidin-4-amine
CID 66304186
5-bromo-6-cyclopropyl-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine
CID 66301720
5-bromo-6-cyclopropyl-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 66302752

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine (CID 66301916) is 5-bromo-6-cyclopropyl-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine is CNc1nc(CCOC)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine?
The InChIKey is FEVUFODUXAHFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-13-11-9(12)10(7-3-4-7)14-8(15-11)5-6-16-2/h7H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 5-bromo-6-cyclopropyl-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine?
5-bromo-6-cyclopropyl-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine has a molecular weight of 286.17 g/mol, XLogP of 2.35, 5 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-methoxyethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66301916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).