[4-methyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

C16H20N4 — CID 81424457

IUPAC[4-methyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCc1nc(Cc2ccccn2)nc2c1CC(CN)CC2
InChIInChI=1S/C16H20N4/c1-11-14-8-12(10-17)5-6-15(14)20-16(19-11)9-13-4-2-3-7-18-13/h2-4,7,12H,5-6,8-10,17H2,1H3
InChIKeyRLIQQXFCFVXSCU-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.83
Rot. Bonds3

About [4-methyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

[4-methyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (PubChem CID 81424457) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is [4-methyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
PubChem CID81424457
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name[4-methyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCc1nc(Cc2ccccn2)nc2c1CC(CN)CC2
InChIInChI=1S/C16H20N4/c1-11-14-8-12(10-17)5-6-15(14)20-16(19-11)9-13-4-2-3-7-18-13/h2-4,7,12H,5-6,8-10,17H2,1H3
InChIKeyRLIQQXFCFVXSCU-UHFFFAOYSA-N
XLogP1.83
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-methyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine with MolForge

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Related Compounds

[4-methyl-2-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81425784
[4-methyl-2-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 115531306
(4-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
CID 81424289
[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 114878860
[2-(2,6-dimethyl-4-pyridinyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 107504552
4-ethyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738508
[2-(3,5-difluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81426125
[2-(4-bromo-2-methylphenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 103083994
[2-(1-ethoxypropyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 116731974
6-methyl-5-propan-2-yl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 55130882
[4-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81425186
6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-ylmethanamine
CID 123242170

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The IUPAC name of [4-methyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (CID 81424457) is [4-methyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.
What is the SMILES notation for [4-methyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The canonical SMILES for [4-methyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is Cc1nc(Cc2ccccn2)nc2c1CC(CN)CC2.
What is the InChIKey of [4-methyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The InChIKey is RLIQQXFCFVXSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-11-14-8-12(10-17)5-6-15(14)20-16(19-11)9-13-4-2-3-7-18-13/h2-4,7,12H,5-6,8-10,17H2,1H3.
What are the key properties of [4-methyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
[4-methyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine has a molecular weight of 268.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is sourced from PubChem (CID 81424457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).