4-(aminomethyl)-6-cyclopropylpyrimidin-2-amine

C8H12N4 — CID 83851798

IUPAC4-(aminomethyl)-6-cyclopropylpyrimidin-2-amine
SMILESNCc1cc(C2CC2)nc(N)n1
InChIInChI=1S/C8H12N4/c9-4-6-3-7(5-1-2-5)12-8(10)11-6/h3,5H,1-2,4,9H2,(H2,10,11,12)
InChIKeyMNQGJOQEWBQIFE-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.39
Rot. Bonds2

About 4-(aminomethyl)-6-cyclopropylpyrimidin-2-amine

4-(aminomethyl)-6-cyclopropylpyrimidin-2-amine (PubChem CID 83851798) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-(aminomethyl)-6-cyclopropylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-6-cyclopropylpyrimidin-2-amine
PubChem CID83851798
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name4-(aminomethyl)-6-cyclopropylpyrimidin-2-amine
SMILESNCc1cc(C2CC2)nc(N)n1
InChIInChI=1S/C8H12N4/c9-4-6-3-7(5-1-2-5)12-8(10)11-6/h3,5H,1-2,4,9H2,(H2,10,11,12)
InChIKeyMNQGJOQEWBQIFE-UHFFFAOYSA-N
XLogP0.39
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-cyclopropylpyrimidin-2-amine?
The IUPAC name of 4-(aminomethyl)-6-cyclopropylpyrimidin-2-amine (CID 83851798) is 4-(aminomethyl)-6-cyclopropylpyrimidin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-6-cyclopropylpyrimidin-2-amine?
The canonical SMILES for 4-(aminomethyl)-6-cyclopropylpyrimidin-2-amine is NCc1cc(C2CC2)nc(N)n1.
What is the InChIKey of 4-(aminomethyl)-6-cyclopropylpyrimidin-2-amine?
The InChIKey is MNQGJOQEWBQIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c9-4-6-3-7(5-1-2-5)12-8(10)11-6/h3,5H,1-2,4,9H2,(H2,10,11,12).
What are the key properties of 4-(aminomethyl)-6-cyclopropylpyrimidin-2-amine?
4-(aminomethyl)-6-cyclopropylpyrimidin-2-amine has a molecular weight of 164.21 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-cyclopropylpyrimidin-2-amine is sourced from PubChem (CID 83851798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).