5,6-dimethyl-7-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine

C13H17N7 — CID 62118135

IUPAC5,6-dimethyl-7-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(C(C)c2nncn2C)c2ncnc(N)c12
InChIInChI=1S/C13H17N7/c1-7-8(2)20(9(3)12-18-17-6-19(12)4)13-10(7)11(14)15-5-16-13/h5-6,9H,1-4H3,(H2,14,15,16)
InChIKeyFAMQHILMVGHSSN-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.37
Rot. Bonds2

About 5,6-dimethyl-7-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine

5,6-dimethyl-7-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 62118135) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is 5,6-dimethyl-7-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-7-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID62118135
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name5,6-dimethyl-7-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(C(C)c2nncn2C)c2ncnc(N)c12
InChIInChI=1S/C13H17N7/c1-7-8(2)20(9(3)12-18-17-6-19(12)4)13-10(7)11(14)15-5-16-13/h5-6,9H,1-4H3,(H2,14,15,16)
InChIKeyFAMQHILMVGHSSN-UHFFFAOYSA-N
XLogP1.37
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-7-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 62118135) is 5,6-dimethyl-7-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-7-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-7-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(C)n(C(C)c2nncn2C)c2ncnc(N)c12.
What is the InChIKey of 5,6-dimethyl-7-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is FAMQHILMVGHSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7/c1-7-8(2)20(9(3)12-18-17-6-19(12)4)13-10(7)11(14)15-5-16-13/h5-6,9H,1-4H3,(H2,14,15,16).
What are the key properties of 5,6-dimethyl-7-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-7-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 271.33 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62118135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).