5-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine

C14H15FN4 — CID 80830671

IUPAC5-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine
SMILESNc1ncc(F)c(N2CCCc3ccccc3C2)n1
InChIInChI=1S/C14H15FN4/c15-12-8-17-14(16)18-13(12)19-7-3-6-10-4-1-2-5-11(10)9-19/h1-2,4-5,8H,3,6-7,9H2,(H2,16,17,18)
InChIKeyRUFHTVXVWJAJTB-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.15
Rot. Bonds1

About 5-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine

5-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine (PubChem CID 80830671) has the molecular formula C14H15FN4 and a molecular weight of 258.30 g/mol. Its IUPAC name is 5-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine
PubChem CID80830671
Molecular FormulaC14H15FN4
Molecular Weight258.30 g/mol
Exact Mass258.13
IUPAC Name5-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine
SMILESNc1ncc(F)c(N2CCCc3ccccc3C2)n1
InChIInChI=1S/C14H15FN4/c15-12-8-17-14(16)18-13(12)19-7-3-6-10-4-1-2-5-11(10)9-19/h1-2,4-5,8H,3,6-7,9H2,(H2,16,17,18)
InChIKeyRUFHTVXVWJAJTB-UHFFFAOYSA-N
XLogP2.15
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine (CID 80830671) is 5-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine is Nc1ncc(F)c(N2CCCc3ccccc3C2)n1.
What is the InChIKey of 5-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine?
The InChIKey is RUFHTVXVWJAJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4/c15-12-8-17-14(16)18-13(12)19-7-3-6-10-4-1-2-5-11(10)9-19/h1-2,4-5,8H,3,6-7,9H2,(H2,16,17,18).
What are the key properties of 5-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine?
5-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine has a molecular weight of 258.30 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 80830671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).