2,5,6-trimethyl-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine

C17H20N6 — CID 136575256

IUPAC2,5,6-trimethyl-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(C)c(C)c(NCc2nnc(-c3ccccc3)n2C)n1
InChIInChI=1S/C17H20N6/c1-11-12(2)19-13(3)20-16(11)18-10-15-21-22-17(23(15)4)14-8-6-5-7-9-14/h5-9H,10H2,1-4H3,(H,18,19,20)
InChIKeyDFICPILOAJYYTK-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.81
Rot. Bonds4

About 2,5,6-trimethyl-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine

2,5,6-trimethyl-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 136575256) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 2,5,6-trimethyl-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5,6-trimethyl-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID136575256
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name2,5,6-trimethyl-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(C)c(C)c(NCc2nnc(-c3ccccc3)n2C)n1
InChIInChI=1S/C17H20N6/c1-11-12(2)19-13(3)20-16(11)18-10-15-21-22-17(23(15)4)14-8-6-5-7-9-14/h5-9H,10H2,1-4H3,(H,18,19,20)
InChIKeyDFICPILOAJYYTK-UHFFFAOYSA-N
XLogP2.81
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2,5,6-trimethyl-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine (CID 136575256) is 2,5,6-trimethyl-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2,5,6-trimethyl-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2,5,6-trimethyl-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine is Cc1nc(C)c(C)c(NCc2nnc(-c3ccccc3)n2C)n1.
What is the InChIKey of 2,5,6-trimethyl-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is DFICPILOAJYYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-11-12(2)19-13(3)20-16(11)18-10-15-21-22-17(23(15)4)14-8-6-5-7-9-14/h5-9H,10H2,1-4H3,(H,18,19,20).
What are the key properties of 2,5,6-trimethyl-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
2,5,6-trimethyl-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 308.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 136575256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).