2-[benzyl(methyl)amino]-5,6,7,8-tetrahydroquinazoline-4-carbonitrile

C17H18N4 — CID 39377354

IUPAC2-[benzyl(methyl)amino]-5,6,7,8-tetrahydroquinazoline-4-carbonitrile
SMILESCN(Cc1ccccc1)c1nc(C#N)c2c(n1)CCCC2
InChIInChI=1S/C17H18N4/c1-21(12-13-7-3-2-4-8-13)17-19-15-10-6-5-9-14(15)16(11-18)20-17/h2-4,7-8H,5-6,9-10,12H2,1H3
InChIKeyMMIUXPMZKNFVEA-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.86
Rot. Bonds3

About 2-[benzyl(methyl)amino]-5,6,7,8-tetrahydroquinazoline-4-carbonitrile

2-[benzyl(methyl)amino]-5,6,7,8-tetrahydroquinazoline-4-carbonitrile (PubChem CID 39377354) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-5,6,7,8-tetrahydroquinazoline-4-carbonitrile.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-5,6,7,8-tetrahydroquinazoline-4-carbonitrile
PubChem CID39377354
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name2-[benzyl(methyl)amino]-5,6,7,8-tetrahydroquinazoline-4-carbonitrile
SMILESCN(Cc1ccccc1)c1nc(C#N)c2c(n1)CCCC2
InChIInChI=1S/C17H18N4/c1-21(12-13-7-3-2-4-8-13)17-19-15-10-6-5-9-14(15)16(11-18)20-17/h2-4,7-8H,5-6,9-10,12H2,1H3
InChIKeyMMIUXPMZKNFVEA-UHFFFAOYSA-N
XLogP2.86
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-5,6,7,8-tetrahydroquinazoline-4-carbonitrile?
The IUPAC name of 2-[benzyl(methyl)amino]-5,6,7,8-tetrahydroquinazoline-4-carbonitrile (CID 39377354) is 2-[benzyl(methyl)amino]-5,6,7,8-tetrahydroquinazoline-4-carbonitrile.
What is the SMILES notation for 2-[benzyl(methyl)amino]-5,6,7,8-tetrahydroquinazoline-4-carbonitrile?
The canonical SMILES for 2-[benzyl(methyl)amino]-5,6,7,8-tetrahydroquinazoline-4-carbonitrile is CN(Cc1ccccc1)c1nc(C#N)c2c(n1)CCCC2.
What is the InChIKey of 2-[benzyl(methyl)amino]-5,6,7,8-tetrahydroquinazoline-4-carbonitrile?
The InChIKey is MMIUXPMZKNFVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-21(12-13-7-3-2-4-8-13)17-19-15-10-6-5-9-14(15)16(11-18)20-17/h2-4,7-8H,5-6,9-10,12H2,1H3.
What are the key properties of 2-[benzyl(methyl)amino]-5,6,7,8-tetrahydroquinazoline-4-carbonitrile?
2-[benzyl(methyl)amino]-5,6,7,8-tetrahydroquinazoline-4-carbonitrile has a molecular weight of 278.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-5,6,7,8-tetrahydroquinazoline-4-carbonitrile is sourced from PubChem (CID 39377354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).