5-methyl-N-(6-methyl-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-4-amine

C13H13N5 — CID 163563267

IUPAC5-methyl-N-(6-methyl-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCc1ccc(Nc2ncnc3ccn(C)c23)cn1
InChIInChI=1S/C13H13N5/c1-9-3-4-10(7-14-9)17-13-12-11(15-8-16-13)5-6-18(12)2/h3-8H,1-2H3,(H,15,16,17)
InChIKeyBFVBHYYFJLQSKI-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.42
Rot. Bonds2

About 5-methyl-N-(6-methyl-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-4-amine

5-methyl-N-(6-methyl-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 163563267) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-methyl-N-(6-methyl-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-N-(6-methyl-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID163563267
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name5-methyl-N-(6-methyl-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCc1ccc(Nc2ncnc3ccn(C)c23)cn1
InChIInChI=1S/C13H13N5/c1-9-3-4-10(7-14-9)17-13-12-11(15-8-16-13)5-6-18(12)2/h3-8H,1-2H3,(H,15,16,17)
InChIKeyBFVBHYYFJLQSKI-UHFFFAOYSA-N
XLogP2.42
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(6-methyl-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 5-methyl-N-(6-methyl-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-4-amine (CID 163563267) is 5-methyl-N-(6-methyl-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-N-(6-methyl-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-N-(6-methyl-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-4-amine is Cc1ccc(Nc2ncnc3ccn(C)c23)cn1.
What is the InChIKey of 5-methyl-N-(6-methyl-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is BFVBHYYFJLQSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-9-3-4-10(7-14-9)17-13-12-11(15-8-16-13)5-6-18(12)2/h3-8H,1-2H3,(H,15,16,17).
What are the key properties of 5-methyl-N-(6-methyl-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-4-amine?
5-methyl-N-(6-methyl-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 239.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(6-methyl-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 163563267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).