2-N,2-N-dimethyl-6-[(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

C19H24N6S — CID 55569933

IUPAC2-N,2-N-dimethyl-6-[(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cc(SCc2nc(N)nc(N(C)C)n2)nc2c(C(C)C)cccc12
InChIInChI=1S/C19H24N6S/c1-11(2)13-7-6-8-14-12(3)9-16(23-17(13)14)26-10-15-21-18(20)24-19(22-15)25(4)5/h6-9,11H,10H2,1-5H3,(H2,20,21,22,24)
InChIKeyTZVWLOWKCDSTMS-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.79
Rot. Bonds5

About 2-N,2-N-dimethyl-6-[(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-[(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 55569933) has the molecular formula C19H24N6S and a molecular weight of 368.51 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
PubChem CID55569933
Molecular FormulaC19H24N6S
Molecular Weight368.51 g/mol
Exact Mass368.18
IUPAC Name2-N,2-N-dimethyl-6-[(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cc(SCc2nc(N)nc(N(C)C)n2)nc2c(C(C)C)cccc12
InChIInChI=1S/C19H24N6S/c1-11(2)13-7-6-8-14-12(3)9-16(23-17(13)14)26-10-15-21-18(20)24-19(22-15)25(4)5/h6-9,11H,10H2,1-5H3,(H2,20,21,22,24)
InChIKeyTZVWLOWKCDSTMS-UHFFFAOYSA-N
XLogP3.79
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine (CID 55569933) is 2-N,2-N-dimethyl-6-[(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine is Cc1cc(SCc2nc(N)nc(N(C)C)n2)nc2c(C(C)C)cccc12.
What is the InChIKey of 2-N,2-N-dimethyl-6-[(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is TZVWLOWKCDSTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6S/c1-11(2)13-7-6-8-14-12(3)9-16(23-17(13)14)26-10-15-21-18(20)24-19(22-15)25(4)5/h6-9,11H,10H2,1-5H3,(H2,20,21,22,24).
What are the key properties of 2-N,2-N-dimethyl-6-[(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 368.51 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 55569933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).