2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-propan-2-ylamino]acetamide

C12H19N5O — CID 80962125

IUPAC2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C12H19N5O/c1-7(2)17(6-10(14)18)11-5-9(13)15-12(16-11)8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H2,14,18)(H2,13,15,16)
InChIKeyIVRGSQBXLFHRPI-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.64
Rot. Bonds5

About 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-propan-2-ylamino]acetamide

2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-propan-2-ylamino]acetamide (PubChem CID 80962125) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-propan-2-ylamino]acetamide
PubChem CID80962125
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C12H19N5O/c1-7(2)17(6-10(14)18)11-5-9(13)15-12(16-11)8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H2,14,18)(H2,13,15,16)
InChIKeyIVRGSQBXLFHRPI-UHFFFAOYSA-N
XLogP0.64
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-propan-2-ylamino]acetamide (CID 80962125) is 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)c1cc(N)nc(C2CC2)n1.
What is the InChIKey of 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-propan-2-ylamino]acetamide?
The InChIKey is IVRGSQBXLFHRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-7(2)17(6-10(14)18)11-5-9(13)15-12(16-11)8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H2,14,18)(H2,13,15,16).
What are the key properties of 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-propan-2-ylamino]acetamide?
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-propan-2-ylamino]acetamide has a molecular weight of 249.32 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-propan-2-ylamino]acetamide is sourced from PubChem (CID 80962125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).