4-(2,6-dimethyl-3-pyridinyl)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyrimidin-2-amine

C19H25N7 — CID 56870913

IUPAC4-(2,6-dimethyl-3-pyridinyl)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyrimidin-2-amine
SMILESCc1ccc(-c2ccnc(NC(CC(C)C)c3ncnn3C)n2)c(C)n1
InChIInChI=1S/C19H25N7/c1-12(2)10-17(18-21-11-22-26(18)5)25-19-20-9-8-16(24-19)15-7-6-13(3)23-14(15)4/h6-9,11-12,17H,10H2,1-5H3,(H,20,24,25)
InChIKeyITWBDXHFBMLFON-UHFFFAOYSA-N
MW351.46 g/mol
LogP3.48
Rot. Bonds6

About 4-(2,6-dimethyl-3-pyridinyl)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyrimidin-2-amine

4-(2,6-dimethyl-3-pyridinyl)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyrimidin-2-amine (PubChem CID 56870913) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is 4-(2,6-dimethyl-3-pyridinyl)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,6-dimethyl-3-pyridinyl)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyrimidin-2-amine
PubChem CID56870913
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Name4-(2,6-dimethyl-3-pyridinyl)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyrimidin-2-amine
SMILESCc1ccc(-c2ccnc(NC(CC(C)C)c3ncnn3C)n2)c(C)n1
InChIInChI=1S/C19H25N7/c1-12(2)10-17(18-21-11-22-26(18)5)25-19-20-9-8-16(24-19)15-7-6-13(3)23-14(15)4/h6-9,11-12,17H,10H2,1-5H3,(H,20,24,25)
InChIKeyITWBDXHFBMLFON-UHFFFAOYSA-N
XLogP3.48
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-3-pyridinyl)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyrimidin-2-amine?
The IUPAC name of 4-(2,6-dimethyl-3-pyridinyl)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyrimidin-2-amine (CID 56870913) is 4-(2,6-dimethyl-3-pyridinyl)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,6-dimethyl-3-pyridinyl)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyrimidin-2-amine?
The canonical SMILES for 4-(2,6-dimethyl-3-pyridinyl)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyrimidin-2-amine is Cc1ccc(-c2ccnc(NC(CC(C)C)c3ncnn3C)n2)c(C)n1.
What is the InChIKey of 4-(2,6-dimethyl-3-pyridinyl)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyrimidin-2-amine?
The InChIKey is ITWBDXHFBMLFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7/c1-12(2)10-17(18-21-11-22-26(18)5)25-19-20-9-8-16(24-19)15-7-6-13(3)23-14(15)4/h6-9,11-12,17H,10H2,1-5H3,(H,20,24,25).
What are the key properties of 4-(2,6-dimethyl-3-pyridinyl)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyrimidin-2-amine?
4-(2,6-dimethyl-3-pyridinyl)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyrimidin-2-amine has a molecular weight of 351.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-3-pyridinyl)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyrimidin-2-amine is sourced from PubChem (CID 56870913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).