4,6-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine

C13H17N5 — CID 50967182

IUPAC4,6-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine
SMILESCc1cc(C)nc(NC(C)Cc2cnccn2)n1
InChIInChI=1S/C13H17N5/c1-9-6-10(2)17-13(16-9)18-11(3)7-12-8-14-4-5-15-12/h4-6,8,11H,7H2,1-3H3,(H,16,17,18)
InChIKeyOCNBYUSZHNTGDG-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.93
Rot. Bonds4

About 4,6-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine

4,6-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine (PubChem CID 50967182) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4,6-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine
PubChem CID50967182
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name4,6-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine
SMILESCc1cc(C)nc(NC(C)Cc2cnccn2)n1
InChIInChI=1S/C13H17N5/c1-9-6-10(2)17-13(16-9)18-11(3)7-12-8-14-4-5-15-12/h4-6,8,11H,7H2,1-3H3,(H,16,17,18)
InChIKeyOCNBYUSZHNTGDG-UHFFFAOYSA-N
XLogP1.93
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine (CID 50967182) is 4,6-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine is Cc1cc(C)nc(NC(C)Cc2cnccn2)n1.
What is the InChIKey of 4,6-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine?
The InChIKey is OCNBYUSZHNTGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-9-6-10(2)17-13(16-9)18-11(3)7-12-8-14-4-5-15-12/h4-6,8,11H,7H2,1-3H3,(H,16,17,18).
What are the key properties of 4,6-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine?
4,6-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine has a molecular weight of 243.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 50967182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).