5-bromo-6-cyclopropyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine

C15H16BrN3O — CID 66297263

IUPAC5-bromo-6-cyclopropyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine
SMILESCOCc1cccc(-c2nc(N)c(Br)c(C3CC3)n2)c1
InChIInChI=1S/C15H16BrN3O/c1-20-8-9-3-2-4-11(7-9)15-18-13(10-5-6-10)12(16)14(17)19-15/h2-4,7,10H,5-6,8H2,1H3,(H2,17,18,19)
InChIKeyHUUITRKQBJOYIG-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.51
Rot. Bonds4

About 5-bromo-6-cyclopropyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine

5-bromo-6-cyclopropyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine (PubChem CID 66297263) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine
PubChem CID66297263
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name5-bromo-6-cyclopropyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine
SMILESCOCc1cccc(-c2nc(N)c(Br)c(C3CC3)n2)c1
InChIInChI=1S/C15H16BrN3O/c1-20-8-9-3-2-4-11(7-9)15-18-13(10-5-6-10)12(16)14(17)19-15/h2-4,7,10H,5-6,8H2,1H3,(H2,17,18,19)
InChIKeyHUUITRKQBJOYIG-UHFFFAOYSA-N
XLogP3.51
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.51
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-[3-(methoxymethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine (CID 66297263) is 5-bromo-6-cyclopropyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine is COCc1cccc(-c2nc(N)c(Br)c(C3CC3)n2)c1.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine?
The InChIKey is HUUITRKQBJOYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-20-8-9-3-2-4-11(7-9)15-18-13(10-5-6-10)12(16)14(17)19-15/h2-4,7,10H,5-6,8H2,1H3,(H2,17,18,19).
What are the key properties of 5-bromo-6-cyclopropyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine?
5-bromo-6-cyclopropyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine has a molecular weight of 334.22 g/mol, XLogP of 3.51, 4 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-[3-(methoxymethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 66297263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).