4-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine

C15H18N4 — CID 78948022

IUPAC4-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine
SMILESCc1cc(N2CCCc3ccccc3C2)nc(N)n1
InChIInChI=1S/C15H18N4/c1-11-9-14(18-15(16)17-11)19-8-4-7-12-5-2-3-6-13(12)10-19/h2-3,5-6,9H,4,7-8,10H2,1H3,(H2,16,17,18)
InChIKeyHSTRBXLWJVWPHJ-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.32
Rot. Bonds1

About 4-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine

4-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine (PubChem CID 78948022) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine
PubChem CID78948022
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine
SMILESCc1cc(N2CCCc3ccccc3C2)nc(N)n1
InChIInChI=1S/C15H18N4/c1-11-9-14(18-15(16)17-11)19-8-4-7-12-5-2-3-6-13(12)10-19/h2-3,5-6,9H,4,7-8,10H2,1H3,(H2,16,17,18)
InChIKeyHSTRBXLWJVWPHJ-UHFFFAOYSA-N
XLogP2.32
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine (CID 78948022) is 4-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine is Cc1cc(N2CCCc3ccccc3C2)nc(N)n1.
What is the InChIKey of 4-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine?
The InChIKey is HSTRBXLWJVWPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11-9-14(18-15(16)17-11)19-8-4-7-12-5-2-3-6-13(12)10-19/h2-3,5-6,9H,4,7-8,10H2,1H3,(H2,16,17,18).
What are the key properties of 4-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine?
4-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine has a molecular weight of 254.34 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 78948022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).