5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine

C12H18BrN3 — CID 79033246

IUPAC5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine
SMILESCC(C)CCN(c1ncncc1Br)C1CC1
InChIInChI=1S/C12H18BrN3/c1-9(2)5-6-16(10-3-4-10)12-11(13)7-14-8-15-12/h7-10H,3-6H2,1-2H3
InChIKeyXQXATKXSBQENQX-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.25
Rot. Bonds5

About 5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine

5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine (PubChem CID 79033246) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine
PubChem CID79033246
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine
SMILESCC(C)CCN(c1ncncc1Br)C1CC1
InChIInChI=1S/C12H18BrN3/c1-9(2)5-6-16(10-3-4-10)12-11(13)7-14-8-15-12/h7-10H,3-6H2,1-2H3
InChIKeyXQXATKXSBQENQX-UHFFFAOYSA-N
XLogP3.25
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine (CID 79033246) is 5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine is CC(C)CCN(c1ncncc1Br)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine?
The InChIKey is XQXATKXSBQENQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-9(2)5-6-16(10-3-4-10)12-11(13)7-14-8-15-12/h7-10H,3-6H2,1-2H3.
What are the key properties of 5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine?
5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine has a molecular weight of 284.20 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 79033246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).