1-(2,1,3-benzoxadiazol-5-yl)-N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methylmethanamine

C19H23N5O — CID 77091567

IUPAC1-(2,1,3-benzoxadiazol-5-yl)-N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1cnc(C2CCCCC2)nc1)Cc1ccc2nonc2c1
InChIInChI=1S/C19H23N5O/c1-24(12-14-7-8-17-18(9-14)23-25-22-17)13-15-10-20-19(21-11-15)16-5-3-2-4-6-16/h7-11,16H,2-6,12-13H2,1H3
InChIKeyQINQKQRGVYCUKC-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.69
Rot. Bonds5

About 1-(2,1,3-benzoxadiazol-5-yl)-N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methylmethanamine

1-(2,1,3-benzoxadiazol-5-yl)-N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methylmethanamine (PubChem CID 77091567) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-(2,1,3-benzoxadiazol-5-yl)-N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,1,3-benzoxadiazol-5-yl)-N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methylmethanamine
PubChem CID77091567
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-(2,1,3-benzoxadiazol-5-yl)-N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1cnc(C2CCCCC2)nc1)Cc1ccc2nonc2c1
InChIInChI=1S/C19H23N5O/c1-24(12-14-7-8-17-18(9-14)23-25-22-17)13-15-10-20-19(21-11-15)16-5-3-2-4-6-16/h7-11,16H,2-6,12-13H2,1H3
InChIKeyQINQKQRGVYCUKC-UHFFFAOYSA-N
XLogP3.69
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2,1,3-benzoxadiazol-5-yl)-N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzoxadiazol-5-yl)-N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(2,1,3-benzoxadiazol-5-yl)-N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methylmethanamine (CID 77091567) is 1-(2,1,3-benzoxadiazol-5-yl)-N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(2,1,3-benzoxadiazol-5-yl)-N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(2,1,3-benzoxadiazol-5-yl)-N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methylmethanamine is CN(Cc1cnc(C2CCCCC2)nc1)Cc1ccc2nonc2c1.
What is the InChIKey of 1-(2,1,3-benzoxadiazol-5-yl)-N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methylmethanamine?
The InChIKey is QINQKQRGVYCUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-24(12-14-7-8-17-18(9-14)23-25-22-17)13-15-10-20-19(21-11-15)16-5-3-2-4-6-16/h7-11,16H,2-6,12-13H2,1H3.
What are the key properties of 1-(2,1,3-benzoxadiazol-5-yl)-N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methylmethanamine?
1-(2,1,3-benzoxadiazol-5-yl)-N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methylmethanamine has a molecular weight of 337.43 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzoxadiazol-5-yl)-N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 77091567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).