5-(3-aminopropyl)-4-methylpyrimidin-2-amine

C8H14N4 — CID 115070165

IUPAC5-(3-aminopropyl)-4-methylpyrimidin-2-amine
SMILESCc1nc(N)ncc1CCCN
InChIInChI=1S/C8H14N4/c1-6-7(3-2-4-9)5-11-8(10)12-6/h5H,2-4,9H2,1H3,(H2,10,11,12)
InChIKeyNLIRXUUYQCEMNH-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.26
Rot. Bonds3

About 5-(3-aminopropyl)-4-methylpyrimidin-2-amine

5-(3-aminopropyl)-4-methylpyrimidin-2-amine (PubChem CID 115070165) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 5-(3-aminopropyl)-4-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-aminopropyl)-4-methylpyrimidin-2-amine
PubChem CID115070165
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name5-(3-aminopropyl)-4-methylpyrimidin-2-amine
SMILESCc1nc(N)ncc1CCCN
InChIInChI=1S/C8H14N4/c1-6-7(3-2-4-9)5-11-8(10)12-6/h5H,2-4,9H2,1H3,(H2,10,11,12)
InChIKeyNLIRXUUYQCEMNH-UHFFFAOYSA-N
XLogP0.26
TPSA77.82 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 ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-4-methylpyrimidin-2-amine?
The IUPAC name of 5-(3-aminopropyl)-4-methylpyrimidin-2-amine (CID 115070165) is 5-(3-aminopropyl)-4-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(3-aminopropyl)-4-methylpyrimidin-2-amine?
The canonical SMILES for 5-(3-aminopropyl)-4-methylpyrimidin-2-amine is Cc1nc(N)ncc1CCCN.
What is the InChIKey of 5-(3-aminopropyl)-4-methylpyrimidin-2-amine?
The InChIKey is NLIRXUUYQCEMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-6-7(3-2-4-9)5-11-8(10)12-6/h5H,2-4,9H2,1H3,(H2,10,11,12).
What are the key properties of 5-(3-aminopropyl)-4-methylpyrimidin-2-amine?
5-(3-aminopropyl)-4-methylpyrimidin-2-amine has a molecular weight of 166.23 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-4-methylpyrimidin-2-amine is sourced from PubChem (CID 115070165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).