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

C18H27N5O2 — CID 46974097

IUPACN-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1cc(N2CCN(C(C)=O)CC2)nc(C2CC2)n1
InChIInChI=1S/C18H27N5O2/c1-3-17(25)19-7-6-15-12-16(21-18(20-15)14-4-5-14)23-10-8-22(9-11-23)13(2)24/h12,14H,3-11H2,1-2H3,(H,19,25)
InChIKeyKRXNNHBILKNRQY-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.09
Rot. Bonds6

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

N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]propanamide (PubChem CID 46974097) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]propanamide
PubChem CID46974097
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1cc(N2CCN(C(C)=O)CC2)nc(C2CC2)n1
InChIInChI=1S/C18H27N5O2/c1-3-17(25)19-7-6-15-12-16(21-18(20-15)14-4-5-14)23-10-8-22(9-11-23)13(2)24/h12,14H,3-11H2,1-2H3,(H,19,25)
InChIKeyKRXNNHBILKNRQY-UHFFFAOYSA-N
XLogP1.09
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.09
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]propanamide?
The IUPAC name of N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]propanamide (CID 46974097) is N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]propanamide is CCC(=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]propanamide?
The InChIKey is KRXNNHBILKNRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-3-17(25)19-7-6-15-12-16(21-18(20-15)14-4-5-14)23-10-8-22(9-11-23)13(2)24/h12,14H,3-11H2,1-2H3,(H,19,25).
What are the key properties of N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]propanamide?
N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]propanamide has a molecular weight of 345.45 g/mol, XLogP of 1.09, 6 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]propanamide is sourced from PubChem (CID 46974097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).