1-[1-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine

C15H15BrFN3 — CID 116902604

IUPAC1-[1-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2nccc(-c3cc(Br)ccc3F)n2)CC1
InChIInChI=1S/C15H15BrFN3/c1-18-9-15(5-6-15)14-19-7-4-13(20-14)11-8-10(16)2-3-12(11)17/h2-4,7-8,18H,5-6,9H2,1H3
InChIKeyJEJYAXINHNPCNV-UHFFFAOYSA-N
MW336.21 g/mol
LogP3.30
Rot. Bonds4

About 1-[1-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine

1-[1-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine (PubChem CID 116902604) has the molecular formula C15H15BrFN3 and a molecular weight of 336.21 g/mol. Its IUPAC name is 1-[1-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine
PubChem CID116902604
Molecular FormulaC15H15BrFN3
Molecular Weight336.21 g/mol
Exact Mass335.04
IUPAC Name1-[1-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2nccc(-c3cc(Br)ccc3F)n2)CC1
InChIInChI=1S/C15H15BrFN3/c1-18-9-15(5-6-15)14-19-7-4-13(20-14)11-8-10(16)2-3-12(11)17/h2-4,7-8,18H,5-6,9H2,1H3
InChIKeyJEJYAXINHNPCNV-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine (CID 116902604) is 1-[1-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine is CNCC1(c2nccc(-c3cc(Br)ccc3F)n2)CC1.
What is the InChIKey of 1-[1-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine?
The InChIKey is JEJYAXINHNPCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3/c1-18-9-15(5-6-15)14-19-7-4-13(20-14)11-8-10(16)2-3-12(11)17/h2-4,7-8,18H,5-6,9H2,1H3.
What are the key properties of 1-[1-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine?
1-[1-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine has a molecular weight of 336.21 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 116902604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).