N-methyl-1-[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

C17H22N4 — CID 114878861

IUPACN-methyl-1-[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCNCC1CCc2nc(-c3cnccc3C)nc(C)c2C1
InChIInChI=1S/C17H22N4/c1-11-6-7-19-10-15(11)17-20-12(2)14-8-13(9-18-3)4-5-16(14)21-17/h6-7,10,13,18H,4-5,8-9H2,1-3H3
InChIKeyXNVWZGUZHKKMQQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.48
Rot. Bonds3

About N-methyl-1-[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

N-methyl-1-[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (PubChem CID 114878861) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
PubChem CID114878861
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-methyl-1-[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCNCC1CCc2nc(-c3cnccc3C)nc(C)c2C1
InChIInChI=1S/C17H22N4/c1-11-6-7-19-10-15(11)17-20-12(2)14-8-13(9-18-3)4-5-16(14)21-17/h6-7,10,13,18H,4-5,8-9H2,1-3H3
InChIKeyXNVWZGUZHKKMQQ-UHFFFAOYSA-N
XLogP2.48
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine with MolForge

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Related Compounds

[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 114878860
1-[2-(5-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
CID 81424302
N-methyl-1-[4-methyl-2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81425903
1-[2-(cyclopentylsulfanylmethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
CID 81426131
N-[[4-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 82886435
[2-(4-bromo-2-methylphenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 103083994
N-methyl-1-[2-(4-methylthiophen-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81425043
N,N-diethyl-6-(ethylaminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 81424985
1-[2-(2-bromo-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
CID 107915653
N-[[2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-1-amine
CID 81424472
N-methyl-1-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)methanamine
CID 84718287
[4-methyl-2-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 115531306

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (CID 114878861) is N-methyl-1-[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is CNCC1CCc2nc(-c3cnccc3C)nc(C)c2C1.
What is the InChIKey of N-methyl-1-[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The InChIKey is XNVWZGUZHKKMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-11-6-7-19-10-15(11)17-20-12(2)14-8-13(9-18-3)4-5-16(14)21-17/h6-7,10,13,18H,4-5,8-9H2,1-3H3.
What are the key properties of N-methyl-1-[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
N-methyl-1-[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine has a molecular weight of 282.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is sourced from PubChem (CID 114878861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).