5-bromo-6-cyclopropyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine

C15H24BrN3O — CID 116777193

IUPAC5-bromo-6-cyclopropyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)(CC)OC)nc(C2CC2)c1Br
InChIInChI=1S/C15H24BrN3O/c1-5-9-17-13-11(16)12(10-7-8-10)18-14(19-13)15(3,6-2)20-4/h10H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyPHTVTIGJDNPATH-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.21
Rot. Bonds7

About 5-bromo-6-cyclopropyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine

5-bromo-6-cyclopropyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine (PubChem CID 116777193) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
PubChem CID116777193
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name5-bromo-6-cyclopropyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)(CC)OC)nc(C2CC2)c1Br
InChIInChI=1S/C15H24BrN3O/c1-5-9-17-13-11(16)12(10-7-8-10)18-14(19-13)15(3,6-2)20-4/h10H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyPHTVTIGJDNPATH-UHFFFAOYSA-N
XLogP4.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine (CID 116777193) is 5-bromo-6-cyclopropyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine is CCCNc1nc(C(C)(CC)OC)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine?
The InChIKey is PHTVTIGJDNPATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-5-9-17-13-11(16)12(10-7-8-10)18-14(19-13)15(3,6-2)20-4/h10H,5-9H2,1-4H3,(H,17,18,19).
What are the key properties of 5-bromo-6-cyclopropyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine?
5-bromo-6-cyclopropyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine has a molecular weight of 342.28 g/mol, XLogP of 4.21, 7 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-methoxybutan-2-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116777193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).