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

C19H29N5O2 — CID 92586762

IUPACN-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1cc(N2CCN(C(C)=O)CC2)nc(C2CC2)n1
InChIInChI=1S/C19H29N5O2/c1-3-4-18(26)20-8-7-16-13-17(22-19(21-16)15-5-6-15)24-11-9-23(10-12-24)14(2)25/h13,15H,3-12H2,1-2H3,(H,20,26)
InChIKeyRGXFGOPGPXHADV-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.48
Rot. Bonds7

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

N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]butanamide (PubChem CID 92586762) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]butanamide
PubChem CID92586762
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC NameN-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1cc(N2CCN(C(C)=O)CC2)nc(C2CC2)n1
InChIInChI=1S/C19H29N5O2/c1-3-4-18(26)20-8-7-16-13-17(22-19(21-16)15-5-6-15)24-11-9-23(10-12-24)14(2)25/h13,15H,3-12H2,1-2H3,(H,20,26)
InChIKeyRGXFGOPGPXHADV-UHFFFAOYSA-N
XLogP1.48
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.48
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]butanamide?
The IUPAC name of N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]butanamide (CID 92586762) is N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]butanamide.
What is the SMILES notation for N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]butanamide?
The canonical SMILES for N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]butanamide is CCCC(=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]butanamide?
The InChIKey is RGXFGOPGPXHADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-3-4-18(26)20-8-7-16-13-17(22-19(21-16)15-5-6-15)24-11-9-23(10-12-24)14(2)25/h13,15H,3-12H2,1-2H3,(H,20,26).
What are the key properties of N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]butanamide?
N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]butanamide has a molecular weight of 359.47 g/mol, XLogP of 1.48, 7 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]butanamide is sourced from PubChem (CID 92586762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).