5-bromo-N-(4-methoxybutan-2-yl)pyrimidin-4-amine

C9H14BrN3O — CID 66342606

IUPAC5-bromo-N-(4-methoxybutan-2-yl)pyrimidin-4-amine
SMILESCOCCC(C)Nc1ncncc1Br
InChIInChI=1S/C9H14BrN3O/c1-7(3-4-14-2)13-9-8(10)5-11-6-12-9/h5-7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyUXNMGYYWDGPQCT-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.08
Rot. Bonds5

About 5-bromo-N-(4-methoxybutan-2-yl)pyrimidin-4-amine

5-bromo-N-(4-methoxybutan-2-yl)pyrimidin-4-amine (PubChem CID 66342606) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 5-bromo-N-(4-methoxybutan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(4-methoxybutan-2-yl)pyrimidin-4-amine
PubChem CID66342606
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name5-bromo-N-(4-methoxybutan-2-yl)pyrimidin-4-amine
SMILESCOCCC(C)Nc1ncncc1Br
InChIInChI=1S/C9H14BrN3O/c1-7(3-4-14-2)13-9-8(10)5-11-6-12-9/h5-7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyUXNMGYYWDGPQCT-UHFFFAOYSA-N
XLogP2.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methoxybutan-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(4-methoxybutan-2-yl)pyrimidin-4-amine (CID 66342606) is 5-bromo-N-(4-methoxybutan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(4-methoxybutan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(4-methoxybutan-2-yl)pyrimidin-4-amine is COCCC(C)Nc1ncncc1Br.
What is the InChIKey of 5-bromo-N-(4-methoxybutan-2-yl)pyrimidin-4-amine?
The InChIKey is UXNMGYYWDGPQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-7(3-4-14-2)13-9-8(10)5-11-6-12-9/h5-7H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 5-bromo-N-(4-methoxybutan-2-yl)pyrimidin-4-amine?
5-bromo-N-(4-methoxybutan-2-yl)pyrimidin-4-amine has a molecular weight of 260.13 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methoxybutan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 66342606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).