N-[2-(2-cyclopropylpyrimidin-4-yl)propan-2-yl]acetamide

C12H17N3O — CID 66911094

IUPACN-[2-(2-cyclopropylpyrimidin-4-yl)propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1ccnc(C2CC2)n1
InChIInChI=1S/C12H17N3O/c1-8(16)15-12(2,3)10-6-7-13-11(14-10)9-4-5-9/h6-7,9H,4-5H2,1-3H3,(H,15,16)
InChIKeyPTHMASNVHKIVTH-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.73
Rot. Bonds3

About N-[2-(2-cyclopropylpyrimidin-4-yl)propan-2-yl]acetamide

N-[2-(2-cyclopropylpyrimidin-4-yl)propan-2-yl]acetamide (PubChem CID 66911094) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[2-(2-cyclopropylpyrimidin-4-yl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-cyclopropylpyrimidin-4-yl)propan-2-yl]acetamide
PubChem CID66911094
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[2-(2-cyclopropylpyrimidin-4-yl)propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1ccnc(C2CC2)n1
InChIInChI=1S/C12H17N3O/c1-8(16)15-12(2,3)10-6-7-13-11(14-10)9-4-5-9/h6-7,9H,4-5H2,1-3H3,(H,15,16)
InChIKeyPTHMASNVHKIVTH-UHFFFAOYSA-N
XLogP1.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropylpyrimidin-4-yl)propan-2-yl]acetamide?
The IUPAC name of N-[2-(2-cyclopropylpyrimidin-4-yl)propan-2-yl]acetamide (CID 66911094) is N-[2-(2-cyclopropylpyrimidin-4-yl)propan-2-yl]acetamide.
What is the SMILES notation for N-[2-(2-cyclopropylpyrimidin-4-yl)propan-2-yl]acetamide?
The canonical SMILES for N-[2-(2-cyclopropylpyrimidin-4-yl)propan-2-yl]acetamide is CC(=O)NC(C)(C)c1ccnc(C2CC2)n1.
What is the InChIKey of N-[2-(2-cyclopropylpyrimidin-4-yl)propan-2-yl]acetamide?
The InChIKey is PTHMASNVHKIVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8(16)15-12(2,3)10-6-7-13-11(14-10)9-4-5-9/h6-7,9H,4-5H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(2-cyclopropylpyrimidin-4-yl)propan-2-yl]acetamide?
N-[2-(2-cyclopropylpyrimidin-4-yl)propan-2-yl]acetamide has a molecular weight of 219.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropylpyrimidin-4-yl)propan-2-yl]acetamide is sourced from PubChem (CID 66911094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).