2-N,2-N-dimethyl-6-[[methyl-[phenyl(pyridin-2-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine

C19H23N7 — CID 71975143

IUPAC2-N,2-N-dimethyl-6-[[methyl-[phenyl(pyridin-2-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CN(C)C(c2ccccc2)c2ccccn2)n1
InChIInChI=1S/C19H23N7/c1-25(2)19-23-16(22-18(20)24-19)13-26(3)17(14-9-5-4-6-10-14)15-11-7-8-12-21-15/h4-12,17H,13H2,1-3H3,(H2,20,22,23,24)
InChIKeyIALWRWVGRXWTAM-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.14
Rot. Bonds6

About 2-N,2-N-dimethyl-6-[[methyl-[phenyl(pyridin-2-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-[[methyl-[phenyl(pyridin-2-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 71975143) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[[methyl-[phenyl(pyridin-2-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[[methyl-[phenyl(pyridin-2-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID71975143
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name2-N,2-N-dimethyl-6-[[methyl-[phenyl(pyridin-2-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CN(C)C(c2ccccc2)c2ccccn2)n1
InChIInChI=1S/C19H23N7/c1-25(2)19-23-16(22-18(20)24-19)13-26(3)17(14-9-5-4-6-10-14)15-11-7-8-12-21-15/h4-12,17H,13H2,1-3H3,(H2,20,22,23,24)
InChIKeyIALWRWVGRXWTAM-UHFFFAOYSA-N
XLogP2.14
TPSA84.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.14
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-[[methyl-[phenyl(pyridin-2-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[[methyl-[phenyl(pyridin-2-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine (CID 71975143) is 2-N,2-N-dimethyl-6-[[methyl-[phenyl(pyridin-2-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[[methyl-[phenyl(pyridin-2-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[[methyl-[phenyl(pyridin-2-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(CN(C)C(c2ccccc2)c2ccccn2)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[[methyl-[phenyl(pyridin-2-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is IALWRWVGRXWTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-25(2)19-23-16(22-18(20)24-19)13-26(3)17(14-9-5-4-6-10-14)15-11-7-8-12-21-15/h4-12,17H,13H2,1-3H3,(H2,20,22,23,24).
What are the key properties of 2-N,2-N-dimethyl-6-[[methyl-[phenyl(pyridin-2-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[[methyl-[phenyl(pyridin-2-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 349.44 g/mol, XLogP of 2.14, 6 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-[[methyl-[phenyl(pyridin-2-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 71975143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).