cyclopropyl-(4-ethyl-6-propan-2-ylpyrimidin-2-yl)methanamine

C13H21N3 — CID 63318736

IUPACcyclopropyl-(4-ethyl-6-propan-2-ylpyrimidin-2-yl)methanamine
SMILESCCc1cc(C(C)C)nc(C(N)C2CC2)n1
InChIInChI=1S/C13H21N3/c1-4-10-7-11(8(2)3)16-13(15-10)12(14)9-5-6-9/h7-9,12H,4-6,14H2,1-3H3
InChIKeyQJHYDQNBGGTKQX-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.57
Rot. Bonds4

About cyclopropyl-(4-ethyl-6-propan-2-ylpyrimidin-2-yl)methanamine

cyclopropyl-(4-ethyl-6-propan-2-ylpyrimidin-2-yl)methanamine (PubChem CID 63318736) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is cyclopropyl-(4-ethyl-6-propan-2-ylpyrimidin-2-yl)methanamine.

Molecular Properties

Compound Namecyclopropyl-(4-ethyl-6-propan-2-ylpyrimidin-2-yl)methanamine
PubChem CID63318736
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Namecyclopropyl-(4-ethyl-6-propan-2-ylpyrimidin-2-yl)methanamine
SMILESCCc1cc(C(C)C)nc(C(N)C2CC2)n1
InChIInChI=1S/C13H21N3/c1-4-10-7-11(8(2)3)16-13(15-10)12(14)9-5-6-9/h7-9,12H,4-6,14H2,1-3H3
InChIKeyQJHYDQNBGGTKQX-UHFFFAOYSA-N
XLogP2.57
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(4-ethyl-6-propan-2-ylpyrimidin-2-yl)methanamine?
The IUPAC name of cyclopropyl-(4-ethyl-6-propan-2-ylpyrimidin-2-yl)methanamine (CID 63318736) is cyclopropyl-(4-ethyl-6-propan-2-ylpyrimidin-2-yl)methanamine.
What is the SMILES notation for cyclopropyl-(4-ethyl-6-propan-2-ylpyrimidin-2-yl)methanamine?
The canonical SMILES for cyclopropyl-(4-ethyl-6-propan-2-ylpyrimidin-2-yl)methanamine is CCc1cc(C(C)C)nc(C(N)C2CC2)n1.
What is the InChIKey of cyclopropyl-(4-ethyl-6-propan-2-ylpyrimidin-2-yl)methanamine?
The InChIKey is QJHYDQNBGGTKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-4-10-7-11(8(2)3)16-13(15-10)12(14)9-5-6-9/h7-9,12H,4-6,14H2,1-3H3.
What are the key properties of cyclopropyl-(4-ethyl-6-propan-2-ylpyrimidin-2-yl)methanamine?
cyclopropyl-(4-ethyl-6-propan-2-ylpyrimidin-2-yl)methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(4-ethyl-6-propan-2-ylpyrimidin-2-yl)methanamine is sourced from PubChem (CID 63318736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).