3-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-1-amine

C13H21N3 — CID 63318793

IUPAC3-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-1-amine
SMILESCC(C)c1cc(C2CC2)nc(CCCN)n1
InChIInChI=1S/C13H21N3/c1-9(2)11-8-12(10-5-6-10)16-13(15-11)4-3-7-14/h8-10H,3-7,14H2,1-2H3
InChIKeyPLJYEPGBOAMNKN-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.37
Rot. Bonds5

About 3-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-1-amine

3-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-1-amine (PubChem CID 63318793) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-1-amine
PubChem CID63318793
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-1-amine
SMILESCC(C)c1cc(C2CC2)nc(CCCN)n1
InChIInChI=1S/C13H21N3/c1-9(2)11-8-12(10-5-6-10)16-13(15-11)4-3-7-14/h8-10H,3-7,14H2,1-2H3
InChIKeyPLJYEPGBOAMNKN-UHFFFAOYSA-N
XLogP2.37
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-1-amine?
The IUPAC name of 3-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-1-amine (CID 63318793) is 3-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-1-amine.
What is the SMILES notation for 3-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-1-amine?
The canonical SMILES for 3-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-1-amine is CC(C)c1cc(C2CC2)nc(CCCN)n1.
What is the InChIKey of 3-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-1-amine?
The InChIKey is PLJYEPGBOAMNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9(2)11-8-12(10-5-6-10)16-13(15-11)4-3-7-14/h8-10H,3-7,14H2,1-2H3.
What are the key properties of 3-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-1-amine?
3-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-1-amine is sourced from PubChem (CID 63318793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).