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

C17H22N4 — CID 107504552

IUPAC[2-(2,6-dimethyl-4-pyridinyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCc1cc(-c2nc(C)c3c(n2)CCC(CN)C3)cc(C)n1
InChIInChI=1S/C17H22N4/c1-10-6-14(7-11(2)19-10)17-20-12(3)15-8-13(9-18)4-5-16(15)21-17/h6-7,13H,4-5,8-9,18H2,1-3H3
InChIKeyJHIMQOUQYUJJNR-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.53
Rot. Bonds2

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

[2-(2,6-dimethyl-4-pyridinyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (PubChem CID 107504552) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is [2-(2,6-dimethyl-4-pyridinyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(2,6-dimethyl-4-pyridinyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
PubChem CID107504552
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name[2-(2,6-dimethyl-4-pyridinyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCc1cc(-c2nc(C)c3c(n2)CCC(CN)C3)cc(C)n1
InChIInChI=1S/C17H22N4/c1-10-6-14(7-11(2)19-10)17-20-12(3)15-8-13(9-18)4-5-16(15)21-17/h6-7,13H,4-5,8-9,18H2,1-3H3
InChIKeyJHIMQOUQYUJJNR-UHFFFAOYSA-N
XLogP2.53
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethyl-4-pyridinyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The IUPAC name of [2-(2,6-dimethyl-4-pyridinyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (CID 107504552) is [2-(2,6-dimethyl-4-pyridinyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.
What is the SMILES notation for [2-(2,6-dimethyl-4-pyridinyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The canonical SMILES for [2-(2,6-dimethyl-4-pyridinyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is Cc1cc(-c2nc(C)c3c(n2)CCC(CN)C3)cc(C)n1.
What is the InChIKey of [2-(2,6-dimethyl-4-pyridinyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The InChIKey is JHIMQOUQYUJJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-10-6-14(7-11(2)19-10)17-20-12(3)15-8-13(9-18)4-5-16(15)21-17/h6-7,13H,4-5,8-9,18H2,1-3H3.
What are the key properties of [2-(2,6-dimethyl-4-pyridinyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
[2-(2,6-dimethyl-4-pyridinyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine has a molecular weight of 282.39 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethyl-4-pyridinyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is sourced from PubChem (CID 107504552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).