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

C13H21N3 — CID 63318995

IUPAC2-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-2-amine
SMILESCC(C)c1cc(C2CC2)nc(C(C)(C)N)n1
InChIInChI=1S/C13H21N3/c1-8(2)10-7-11(9-5-6-9)16-12(15-10)13(3,4)14/h7-9H,5-6,14H2,1-4H3
InChIKeyXZQUSDAWYCDXBS-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.67
Rot. Bonds3

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

2-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-2-amine (PubChem CID 63318995) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-2-amine
PubChem CID63318995
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-2-amine
SMILESCC(C)c1cc(C2CC2)nc(C(C)(C)N)n1
InChIInChI=1S/C13H21N3/c1-8(2)10-7-11(9-5-6-9)16-12(15-10)13(3,4)14/h7-9H,5-6,14H2,1-4H3
InChIKeyXZQUSDAWYCDXBS-UHFFFAOYSA-N
XLogP2.67
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-2-amine?
The IUPAC name of 2-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-2-amine (CID 63318995) is 2-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-2-amine.
What is the SMILES notation for 2-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-2-amine?
The canonical SMILES for 2-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-2-amine is CC(C)c1cc(C2CC2)nc(C(C)(C)N)n1.
What is the InChIKey of 2-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-2-amine?
The InChIKey is XZQUSDAWYCDXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-8(2)10-7-11(9-5-6-9)16-12(15-10)13(3,4)14/h7-9H,5-6,14H2,1-4H3.
What are the key properties of 2-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-2-amine?
2-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-2-amine is sourced from PubChem (CID 63318995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).