2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine

C16H26N6OS — CID 100695022

IUPAC2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCOCCN(Cc1scnc1C)c1nc(C(C)C)nc(N(C)C)n1
InChIInChI=1S/C16H26N6OS/c1-11(2)14-18-15(21(4)5)20-16(19-14)22(7-8-23-6)9-13-12(3)17-10-24-13/h10-11H,7-9H2,1-6H3
InChIKeyUIYDZRLYYBAFNY-UHFFFAOYSA-N
MW350.49 g/mol
LogP2.48
Rot. Bonds8

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

2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 100695022) has the molecular formula C16H26N6OS and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID100695022
Molecular FormulaC16H26N6OS
Molecular Weight350.49 g/mol
Exact Mass350.19
IUPAC Name2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCOCCN(Cc1scnc1C)c1nc(C(C)C)nc(N(C)C)n1
InChIInChI=1S/C16H26N6OS/c1-11(2)14-18-15(21(4)5)20-16(19-14)22(7-8-23-6)9-13-12(3)17-10-24-13/h10-11H,7-9H2,1-6H3
InChIKeyUIYDZRLYYBAFNY-UHFFFAOYSA-N
XLogP2.48
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 100695022) is 2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine is COCCN(Cc1scnc1C)c1nc(C(C)C)nc(N(C)C)n1.
What is the InChIKey of 2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is UIYDZRLYYBAFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6OS/c1-11(2)14-18-15(21(4)5)20-16(19-14)22(7-8-23-6)9-13-12(3)17-10-24-13/h10-11H,7-9H2,1-6H3.
What are the key properties of 2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 350.49 g/mol, XLogP of 2.48, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 100695022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).