N-methyl-N-(oxan-4-ylmethyl)-5,11-dihydro-[1]benzoxepino[3,4-d]pyrimidin-1-amine

C19H23N3O2 — CID 72868057

IUPACN-methyl-N-(oxan-4-ylmethyl)-5,11-dihydro-[1]benzoxepino[3,4-d]pyrimidin-1-amine
SMILESCN(CC1CCOCC1)c1ncnc2c1Cc1ccccc1OC2
InChIInChI=1S/C19H23N3O2/c1-22(11-14-6-8-23-9-7-14)19-16-10-15-4-2-3-5-18(15)24-12-17(16)20-13-21-19/h2-5,13-14H,6-12H2,1H3
InChIKeyVBSAPSREWRQYCX-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.82
Rot. Bonds3

About N-methyl-N-(oxan-4-ylmethyl)-5,11-dihydro-[1]benzoxepino[3,4-d]pyrimidin-1-amine

N-methyl-N-(oxan-4-ylmethyl)-5,11-dihydro-[1]benzoxepino[3,4-d]pyrimidin-1-amine (PubChem CID 72868057) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)-5,11-dihydro-[1]benzoxepino[3,4-d]pyrimidin-1-amine.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)-5,11-dihydro-[1]benzoxepino[3,4-d]pyrimidin-1-amine
PubChem CID72868057
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)-5,11-dihydro-[1]benzoxepino[3,4-d]pyrimidin-1-amine
SMILESCN(CC1CCOCC1)c1ncnc2c1Cc1ccccc1OC2
InChIInChI=1S/C19H23N3O2/c1-22(11-14-6-8-23-9-7-14)19-16-10-15-4-2-3-5-18(15)24-12-17(16)20-13-21-19/h2-5,13-14H,6-12H2,1H3
InChIKeyVBSAPSREWRQYCX-UHFFFAOYSA-N
XLogP2.82
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-(oxan-4-ylmethyl)-5,11-dihydro-[1]benzoxepino[3,4-d]pyrimidin-1-amine with MolForge

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Related Compounds

2-N,3-N-dimethyl-2-N,3-N-bis(oxan-4-ylmethyl)pyrazine-2,3-diamine
CID 75478549
4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
CID 80845882
3-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 107083717
2-[1-(5,11-dihydro-[1]benzoxepino[3,4-d]pyrimidin-1-yl)piperidin-4-yl]ethanol
CID 74238080
1-[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-5,11-dihydro-[1]benzoxepino[3,4-d]pyrimidine
CID 72935091
N-[(5-methyl-1H-imidazol-4-yl)methyl]-5,11-dihydro-[1]benzoxepino[3,4-d]pyrimidin-1-amine
CID 72883755
6-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)-5-propylpyrimidin-4-amine
CID 80910226
4-N-methyl-4-N-(oxan-4-ylmethyl)quinazoline-2,4-diamine
CID 80845799
N-methyl-N-(oxan-4-ylmethyl)quinoxalin-2-amine
CID 146043495
6-(3-aminophenyl)-N-methyl-N-(oxan-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 171513359
3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-2-amine
CID 63726407
N-methyl-N-(oxan-4-ylmethyl)cyclopropanamine
CID 70661195

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-5,11-dihydro-[1]benzoxepino[3,4-d]pyrimidin-1-amine?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-5,11-dihydro-[1]benzoxepino[3,4-d]pyrimidin-1-amine (CID 72868057) is N-methyl-N-(oxan-4-ylmethyl)-5,11-dihydro-[1]benzoxepino[3,4-d]pyrimidin-1-amine.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)-5,11-dihydro-[1]benzoxepino[3,4-d]pyrimidin-1-amine?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)-5,11-dihydro-[1]benzoxepino[3,4-d]pyrimidin-1-amine is CN(CC1CCOCC1)c1ncnc2c1Cc1ccccc1OC2.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)-5,11-dihydro-[1]benzoxepino[3,4-d]pyrimidin-1-amine?
The InChIKey is VBSAPSREWRQYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-22(11-14-6-8-23-9-7-14)19-16-10-15-4-2-3-5-18(15)24-12-17(16)20-13-21-19/h2-5,13-14H,6-12H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)-5,11-dihydro-[1]benzoxepino[3,4-d]pyrimidin-1-amine?
N-methyl-N-(oxan-4-ylmethyl)-5,11-dihydro-[1]benzoxepino[3,4-d]pyrimidin-1-amine has a molecular weight of 325.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)-5,11-dihydro-[1]benzoxepino[3,4-d]pyrimidin-1-amine is sourced from PubChem (CID 72868057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).