pyrimidin-2-amine;toluene

C11H13N3 — CID 157408891

IUPACpyrimidin-2-amine;toluene
SMILESCc1ccccc1.Nc1ncccn1
InChIInChI=1S/C7H8.C4H5N3/c1-7-5-3-2-4-6-7;5-4-6-2-1-3-7-4/h2-6H,1H3;1-3H,(H2,5,6,7)
InChIKeyBOAXUOLLOZEZDA-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.05
Rot. Bonds

About pyrimidin-2-amine;toluene

pyrimidin-2-amine;toluene (PubChem CID 157408891) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is pyrimidin-2-amine;toluene.

Molecular Properties

Compound Namepyrimidin-2-amine;toluene
PubChem CID157408891
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Namepyrimidin-2-amine;toluene
SMILESCc1ccccc1.Nc1ncccn1
InChIInChI=1S/C7H8.C4H5N3/c1-7-5-3-2-4-6-7;5-4-6-2-1-3-7-4/h2-6H,1H3;1-3H,(H2,5,6,7)
InChIKeyBOAXUOLLOZEZDA-UHFFFAOYSA-N
XLogP2.05
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of pyrimidin-2-amine;toluene?
The IUPAC name of pyrimidin-2-amine;toluene (CID 157408891) is pyrimidin-2-amine;toluene.
What is the SMILES notation for pyrimidin-2-amine;toluene?
The canonical SMILES for pyrimidin-2-amine;toluene is Cc1ccccc1.Nc1ncccn1.
What is the InChIKey of pyrimidin-2-amine;toluene?
The InChIKey is BOAXUOLLOZEZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C4H5N3/c1-7-5-3-2-4-6-7;5-4-6-2-1-3-7-4/h2-6H,1H3;1-3H,(H2,5,6,7).
What are the key properties of pyrimidin-2-amine;toluene?
pyrimidin-2-amine;toluene has a molecular weight of 187.25 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-2-amine;toluene is sourced from PubChem (CID 157408891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).