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

C16H20N4 — CID 80830834

IUPAC2,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
SMILESCc1nc(N)c(C)c(N2CCCc3ccccc3C2)n1
InChIInChI=1S/C16H20N4/c1-11-15(17)18-12(2)19-16(11)20-9-5-8-13-6-3-4-7-14(13)10-20/h3-4,6-7H,5,8-10H2,1-2H3,(H2,17,18,19)
InChIKeyLJQXGBPGFCBHFO-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.63
Rot. Bonds1

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

2,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine (PubChem CID 80830834) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
PubChem CID80830834
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
SMILESCc1nc(N)c(C)c(N2CCCc3ccccc3C2)n1
InChIInChI=1S/C16H20N4/c1-11-15(17)18-12(2)19-16(11)20-9-5-8-13-6-3-4-7-14(13)10-20/h3-4,6-7H,5,8-10H2,1-2H3,(H2,17,18,19)
InChIKeyLJQXGBPGFCBHFO-UHFFFAOYSA-N
XLogP2.63
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine (CID 80830834) is 2,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine is Cc1nc(N)c(C)c(N2CCCc3ccccc3C2)n1.
What is the InChIKey of 2,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine?
The InChIKey is LJQXGBPGFCBHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-11-15(17)18-12(2)19-16(11)20-9-5-8-13-6-3-4-7-14(13)10-20/h3-4,6-7H,5,8-10H2,1-2H3,(H2,17,18,19).
What are the key properties of 2,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine?
2,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine has a molecular weight of 268.36 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80830834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).