4-(aminomethyl)-N-propan-2-ylpyrimidin-2-amine

C8H14N4 — CID 107541907

IUPAC4-(aminomethyl)-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(CN)n1
InChIInChI=1S/C8H14N4/c1-6(2)11-8-10-4-3-7(5-9)12-8/h3-4,6H,5,9H2,1-2H3,(H,10,11,12)
InChIKeyCFBMYZPPYAHLHN-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.76
Rot. Bonds3

About 4-(aminomethyl)-N-propan-2-ylpyrimidin-2-amine

4-(aminomethyl)-N-propan-2-ylpyrimidin-2-amine (PubChem CID 107541907) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 4-(aminomethyl)-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-propan-2-ylpyrimidin-2-amine
PubChem CID107541907
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name4-(aminomethyl)-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(CN)n1
InChIInChI=1S/C8H14N4/c1-6(2)11-8-10-4-3-7(5-9)12-8/h3-4,6H,5,9H2,1-2H3,(H,10,11,12)
InChIKeyCFBMYZPPYAHLHN-UHFFFAOYSA-N
XLogP0.76
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-propan-2-ylpyrimidin-2-amine (CID 107541907) is 4-(aminomethyl)-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-propan-2-ylpyrimidin-2-amine is CC(C)Nc1nccc(CN)n1.
What is the InChIKey of 4-(aminomethyl)-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is CFBMYZPPYAHLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-6(2)11-8-10-4-3-7(5-9)12-8/h3-4,6H,5,9H2,1-2H3,(H,10,11,12).
What are the key properties of 4-(aminomethyl)-N-propan-2-ylpyrimidin-2-amine?
4-(aminomethyl)-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 166.23 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 107541907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).