2-methyl-2-N-(5-pyridin-2-ylpyrimidin-2-yl)propane-1,2-diamine

C13H17N5 — CID 116974358

IUPAC2-methyl-2-N-(5-pyridin-2-ylpyrimidin-2-yl)propane-1,2-diamine
SMILESCC(C)(CN)Nc1ncc(-c2ccccn2)cn1
InChIInChI=1S/C13H17N5/c1-13(2,9-14)18-12-16-7-10(8-17-12)11-5-3-4-6-15-11/h3-8H,9,14H2,1-2H3,(H,16,17,18)
InChIKeyYQAIVCCSGGGXKY-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.69
Rot. Bonds4

About 2-methyl-2-N-(5-pyridin-2-ylpyrimidin-2-yl)propane-1,2-diamine

2-methyl-2-N-(5-pyridin-2-ylpyrimidin-2-yl)propane-1,2-diamine (PubChem CID 116974358) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-methyl-2-N-(5-pyridin-2-ylpyrimidin-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N-(5-pyridin-2-ylpyrimidin-2-yl)propane-1,2-diamine
PubChem CID116974358
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2-methyl-2-N-(5-pyridin-2-ylpyrimidin-2-yl)propane-1,2-diamine
SMILESCC(C)(CN)Nc1ncc(-c2ccccn2)cn1
InChIInChI=1S/C13H17N5/c1-13(2,9-14)18-12-16-7-10(8-17-12)11-5-3-4-6-15-11/h3-8H,9,14H2,1-2H3,(H,16,17,18)
InChIKeyYQAIVCCSGGGXKY-UHFFFAOYSA-N
XLogP1.69
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-(5-pyridin-2-ylpyrimidin-2-yl)propane-1,2-diamine?
The IUPAC name of 2-methyl-2-N-(5-pyridin-2-ylpyrimidin-2-yl)propane-1,2-diamine (CID 116974358) is 2-methyl-2-N-(5-pyridin-2-ylpyrimidin-2-yl)propane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N-(5-pyridin-2-ylpyrimidin-2-yl)propane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N-(5-pyridin-2-ylpyrimidin-2-yl)propane-1,2-diamine is CC(C)(CN)Nc1ncc(-c2ccccn2)cn1.
What is the InChIKey of 2-methyl-2-N-(5-pyridin-2-ylpyrimidin-2-yl)propane-1,2-diamine?
The InChIKey is YQAIVCCSGGGXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-13(2,9-14)18-12-16-7-10(8-17-12)11-5-3-4-6-15-11/h3-8H,9,14H2,1-2H3,(H,16,17,18).
What are the key properties of 2-methyl-2-N-(5-pyridin-2-ylpyrimidin-2-yl)propane-1,2-diamine?
2-methyl-2-N-(5-pyridin-2-ylpyrimidin-2-yl)propane-1,2-diamine has a molecular weight of 243.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-(5-pyridin-2-ylpyrimidin-2-yl)propane-1,2-diamine is sourced from PubChem (CID 116974358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).