N,4-dimethylpyrimidin-2-amine

C6H9N3 — CID 12707501

IUPACN,4-dimethylpyrimidin-2-amine
SMILESCNc1nccc(C)n1
InChIInChI=1S/C6H9N3/c1-5-3-4-8-6(7-2)9-5/h3-4H,1-2H3,(H,7,8,9)
InChIKeyOWTDCNVOLHLAEC-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.83
Rot. Bonds1

About N,4-dimethylpyrimidin-2-amine

N,4-dimethylpyrimidin-2-amine (PubChem CID 12707501) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is N,4-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethylpyrimidin-2-amine
PubChem CID12707501
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC NameN,4-dimethylpyrimidin-2-amine
SMILESCNc1nccc(C)n1
InChIInChI=1S/C6H9N3/c1-5-3-4-8-6(7-2)9-5/h3-4H,1-2H3,(H,7,8,9)
InChIKeyOWTDCNVOLHLAEC-UHFFFAOYSA-N
XLogP0.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethylpyrimidin-2-amine?
The IUPAC name of N,4-dimethylpyrimidin-2-amine (CID 12707501) is N,4-dimethylpyrimidin-2-amine.
What is the SMILES notation for N,4-dimethylpyrimidin-2-amine?
The canonical SMILES for N,4-dimethylpyrimidin-2-amine is CNc1nccc(C)n1.
What is the InChIKey of N,4-dimethylpyrimidin-2-amine?
The InChIKey is OWTDCNVOLHLAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-5-3-4-8-6(7-2)9-5/h3-4H,1-2H3,(H,7,8,9).
What are the key properties of N,4-dimethylpyrimidin-2-amine?
N,4-dimethylpyrimidin-2-amine has a molecular weight of 123.16 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylpyrimidin-2-amine is sourced from PubChem (CID 12707501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).