N-propyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine

C15H18N4 — CID 141142297

IUPACN-propyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine
SMILESCCCNc1ncc2c(n1)-c1ccccc1NCC2
InChIInChI=1S/C15H18N4/c1-2-8-17-15-18-10-11-7-9-16-13-6-4-3-5-12(13)14(11)19-15/h3-6,10,16H,2,7-9H2,1H3,(H,17,18,19)
InChIKeyOMGJNWOMOOPVAT-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.93
Rot. Bonds3

About N-propyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine

N-propyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine (PubChem CID 141142297) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-propyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine.

Molecular Properties

Compound NameN-propyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine
PubChem CID141142297
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-propyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine
SMILESCCCNc1ncc2c(n1)-c1ccccc1NCC2
InChIInChI=1S/C15H18N4/c1-2-8-17-15-18-10-11-7-9-16-13-6-4-3-5-12(13)14(11)19-15/h3-6,10,16H,2,7-9H2,1H3,(H,17,18,19)
InChIKeyOMGJNWOMOOPVAT-UHFFFAOYSA-N
XLogP2.93
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine?
The IUPAC name of N-propyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine (CID 141142297) is N-propyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine.
What is the SMILES notation for N-propyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine?
The canonical SMILES for N-propyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine is CCCNc1ncc2c(n1)-c1ccccc1NCC2.
What is the InChIKey of N-propyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine?
The InChIKey is OMGJNWOMOOPVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-8-17-15-18-10-11-7-9-16-13-6-4-3-5-12(13)14(11)19-15/h3-6,10,16H,2,7-9H2,1H3,(H,17,18,19).
What are the key properties of N-propyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine?
N-propyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine has a molecular weight of 254.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine is sourced from PubChem (CID 141142297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).