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

C16H20N4 — CID 80830675

IUPACN,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
SMILESCNc1ncnc(N2CCCc3ccccc3C2)c1C
InChIInChI=1S/C16H20N4/c1-12-15(17-2)18-11-19-16(12)20-9-5-8-13-6-3-4-7-14(13)10-20/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,18,19)
InChIKeyHCXOMMYFIIROSJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.78
Rot. Bonds2

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

N,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine (PubChem CID 80830675) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
PubChem CID80830675
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
SMILESCNc1ncnc(N2CCCc3ccccc3C2)c1C
InChIInChI=1S/C16H20N4/c1-12-15(17-2)18-11-19-16(12)20-9-5-8-13-6-3-4-7-14(13)10-20/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,18,19)
InChIKeyHCXOMMYFIIROSJ-UHFFFAOYSA-N
XLogP2.78
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine?
The IUPAC name of N,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine (CID 80830675) is N,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine?
The canonical SMILES for N,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine is CNc1ncnc(N2CCCc3ccccc3C2)c1C.
What is the InChIKey of N,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine?
The InChIKey is HCXOMMYFIIROSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-12-15(17-2)18-11-19-16(12)20-9-5-8-13-6-3-4-7-14(13)10-20/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,18,19).
What are the key properties of N,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine?
N,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 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80830675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).