6-methyl-2-N-[(1S)-1-(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-1,3,5-triazine-2,4-diamine

C20H25N7 — CID 46898942

IUPAC6-methyl-2-N-[(1S)-1-(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(N[C@@H](C)c2cc3cccc(C)c3nc2N2CCCC2)n1
InChIInChI=1S/C20H25N7/c1-12-7-6-8-15-11-16(18(25-17(12)15)27-9-4-5-10-27)13(2)22-20-24-14(3)23-19(21)26-20/h6-8,11,13H,4-5,9-10H2,1-3H3,(H3,21,22,23,24,26)/t13-/m0/s1
InChIKeyOTYYAFYIMTZOOF-ZDUSSCGKSA-N
MW363.47 g/mol
LogP3.39
Rot. Bonds4

About 6-methyl-2-N-[(1S)-1-(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-1,3,5-triazine-2,4-diamine

6-methyl-2-N-[(1S)-1-(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 46898942) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 6-methyl-2-N-[(1S)-1-(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[(1S)-1-(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID46898942
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name6-methyl-2-N-[(1S)-1-(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(N[C@@H](C)c2cc3cccc(C)c3nc2N2CCCC2)n1
InChIInChI=1S/C20H25N7/c1-12-7-6-8-15-11-16(18(25-17(12)15)27-9-4-5-10-27)13(2)22-20-24-14(3)23-19(21)26-20/h6-8,11,13H,4-5,9-10H2,1-3H3,(H3,21,22,23,24,26)/t13-/m0/s1
InChIKeyOTYYAFYIMTZOOF-ZDUSSCGKSA-N
XLogP3.39
TPSA92.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[(1S)-1-(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-[(1S)-1-(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 46898942) is 6-methyl-2-N-[(1S)-1-(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-[(1S)-1-(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-[(1S)-1-(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-1,3,5-triazine-2,4-diamine is Cc1nc(N)nc(N[C@@H](C)c2cc3cccc(C)c3nc2N2CCCC2)n1.
What is the InChIKey of 6-methyl-2-N-[(1S)-1-(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is OTYYAFYIMTZOOF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H25N7/c1-12-7-6-8-15-11-16(18(25-17(12)15)27-9-4-5-10-27)13(2)22-20-24-14(3)23-19(21)26-20/h6-8,11,13H,4-5,9-10H2,1-3H3,(H3,21,22,23,24,26)/t13-/m0/s1.
What are the key properties of 6-methyl-2-N-[(1S)-1-(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-1,3,5-triazine-2,4-diamine?
6-methyl-2-N-[(1S)-1-(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 363.47 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[(1S)-1-(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 46898942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).