5-bromo-N-[1-(methoxymethyl)cyclopropyl]-2-methylpyrimidin-4-amine

C10H14BrN3O — CID 164651851

IUPAC5-bromo-N-[1-(methoxymethyl)cyclopropyl]-2-methylpyrimidin-4-amine
SMILESCOCC1(Nc2nc(C)ncc2Br)CC1
InChIInChI=1S/C10H14BrN3O/c1-7-12-5-8(11)9(13-7)14-10(3-4-10)6-15-2/h5H,3-4,6H2,1-2H3,(H,12,13,14)
InChIKeyRVMOCAYAADWDCU-UHFFFAOYSA-N
MW272.15 g/mol
LogP2.14
Rot. Bonds4

About 5-bromo-N-[1-(methoxymethyl)cyclopropyl]-2-methylpyrimidin-4-amine

5-bromo-N-[1-(methoxymethyl)cyclopropyl]-2-methylpyrimidin-4-amine (PubChem CID 164651851) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 5-bromo-N-[1-(methoxymethyl)cyclopropyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(methoxymethyl)cyclopropyl]-2-methylpyrimidin-4-amine
PubChem CID164651851
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name5-bromo-N-[1-(methoxymethyl)cyclopropyl]-2-methylpyrimidin-4-amine
SMILESCOCC1(Nc2nc(C)ncc2Br)CC1
InChIInChI=1S/C10H14BrN3O/c1-7-12-5-8(11)9(13-7)14-10(3-4-10)6-15-2/h5H,3-4,6H2,1-2H3,(H,12,13,14)
InChIKeyRVMOCAYAADWDCU-UHFFFAOYSA-N
XLogP2.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(methoxymethyl)cyclopropyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-[1-(methoxymethyl)cyclopropyl]-2-methylpyrimidin-4-amine (CID 164651851) is 5-bromo-N-[1-(methoxymethyl)cyclopropyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-[1-(methoxymethyl)cyclopropyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-[1-(methoxymethyl)cyclopropyl]-2-methylpyrimidin-4-amine is COCC1(Nc2nc(C)ncc2Br)CC1.
What is the InChIKey of 5-bromo-N-[1-(methoxymethyl)cyclopropyl]-2-methylpyrimidin-4-amine?
The InChIKey is RVMOCAYAADWDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-7-12-5-8(11)9(13-7)14-10(3-4-10)6-15-2/h5H,3-4,6H2,1-2H3,(H,12,13,14).
What are the key properties of 5-bromo-N-[1-(methoxymethyl)cyclopropyl]-2-methylpyrimidin-4-amine?
5-bromo-N-[1-(methoxymethyl)cyclopropyl]-2-methylpyrimidin-4-amine has a molecular weight of 272.15 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(methoxymethyl)cyclopropyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 164651851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).