N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]acetamide

C17H25N5O2 — CID 92550417

IUPACN-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]acetamide
SMILESCC(=O)NCCc1cc(N2CCN(C(C)=O)CC2)nc(C2CC2)n1
InChIInChI=1S/C17H25N5O2/c1-12(23)18-6-5-15-11-16(20-17(19-15)14-3-4-14)22-9-7-21(8-10-22)13(2)24/h11,14H,3-10H2,1-2H3,(H,18,23)
InChIKeyAPDAJFXLABBVTI-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.70
Rot. Bonds5

About N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]acetamide

N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]acetamide (PubChem CID 92550417) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]acetamide
PubChem CID92550417
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]acetamide
SMILESCC(=O)NCCc1cc(N2CCN(C(C)=O)CC2)nc(C2CC2)n1
InChIInChI=1S/C17H25N5O2/c1-12(23)18-6-5-15-11-16(20-17(19-15)14-3-4-14)22-9-7-21(8-10-22)13(2)24/h11,14H,3-10H2,1-2H3,(H,18,23)
InChIKeyAPDAJFXLABBVTI-UHFFFAOYSA-N
XLogP0.70
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]acetamide (CID 92550417) is N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]acetamide is CC(=O)NCCc1cc(N2CCN(C(C)=O)CC2)nc(C2CC2)n1.
What is the InChIKey of N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]acetamide?
The InChIKey is APDAJFXLABBVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12(23)18-6-5-15-11-16(20-17(19-15)14-3-4-14)22-9-7-21(8-10-22)13(2)24/h11,14H,3-10H2,1-2H3,(H,18,23).
What are the key properties of N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]acetamide?
N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]acetamide is sourced from PubChem (CID 92550417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).