[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

C16H20N4 — CID 114878860

IUPAC[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCc1ccncc1-c1nc(C)c2c(n1)CCC(CN)C2
InChIInChI=1S/C16H20N4/c1-10-5-6-18-9-14(10)16-19-11(2)13-7-12(8-17)3-4-15(13)20-16/h5-6,9,12H,3-4,7-8,17H2,1-2H3
InChIKeyQNRAKTNLDHWGCD-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.22
Rot. Bonds2

About [4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (PubChem CID 114878860) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is [4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
PubChem CID114878860
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCc1ccncc1-c1nc(C)c2c(n1)CCC(CN)C2
InChIInChI=1S/C16H20N4/c1-10-5-6-18-9-14(10)16-19-11(2)13-7-12(8-17)3-4-15(13)20-16/h5-6,9,12H,3-4,7-8,17H2,1-2H3
InChIKeyQNRAKTNLDHWGCD-UHFFFAOYSA-N
XLogP2.22
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine with MolForge

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Related Compounds

N-methyl-1-[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 114878861
[2-(4-bromo-2-methylphenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 103083994
[4-methyl-2-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 115531306
[2-(2-bromo-5-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 107924337
[2-(3,5-difluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81426125
[2-(3-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81424855
[4-methyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81424457
[4-methyl-2-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81425784
(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
CID 81425975
[2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81424046
[2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine
CID 115066515
4-cyclohexyl-6-(4-methyl-3-pyridinyl)-1,3,5-triazin-2-amine
CID 114879025

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The IUPAC name of [4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (CID 114878860) is [4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.
What is the SMILES notation for [4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The canonical SMILES for [4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is Cc1ccncc1-c1nc(C)c2c(n1)CCC(CN)C2.
What is the InChIKey of [4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The InChIKey is QNRAKTNLDHWGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-10-5-6-18-9-14(10)16-19-11(2)13-7-12(8-17)3-4-15(13)20-16/h5-6,9,12H,3-4,7-8,17H2,1-2H3.
What are the key properties of [4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine has a molecular weight of 268.36 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is sourced from PubChem (CID 114878860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).