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

C19H29N5O2 — CID 92553208

IUPACN-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-2-methylpropanamide
SMILESCC(=O)N1CCN(c2cc(CCNC(=O)C(C)C)nc(C3CC3)n2)CC1
InChIInChI=1S/C19H29N5O2/c1-13(2)19(26)20-7-6-16-12-17(22-18(21-16)15-4-5-15)24-10-8-23(9-11-24)14(3)25/h12-13,15H,4-11H2,1-3H3,(H,20,26)
InChIKeyGJUJPUYYHDLISB-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.34
Rot. Bonds6

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

N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-2-methylpropanamide (PubChem CID 92553208) 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]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-2-methylpropanamide
PubChem CID92553208
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC NameN-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-2-methylpropanamide
SMILESCC(=O)N1CCN(c2cc(CCNC(=O)C(C)C)nc(C3CC3)n2)CC1
InChIInChI=1S/C19H29N5O2/c1-13(2)19(26)20-7-6-16-12-17(22-18(21-16)15-4-5-15)24-10-8-23(9-11-24)14(3)25/h12-13,15H,4-11H2,1-3H3,(H,20,26)
InChIKeyGJUJPUYYHDLISB-UHFFFAOYSA-N
XLogP1.34
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-2-methylpropanamide (CID 92553208) is N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-2-methylpropanamide is CC(=O)N1CCN(c2cc(CCNC(=O)C(C)C)nc(C3CC3)n2)CC1.
What is the InChIKey of N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-2-methylpropanamide?
The InChIKey is GJUJPUYYHDLISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-13(2)19(26)20-7-6-16-12-17(22-18(21-16)15-4-5-15)24-10-8-23(9-11-24)14(3)25/h12-13,15H,4-11H2,1-3H3,(H,20,26).
What are the key properties of N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-2-methylpropanamide?
N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-2-methylpropanamide has a molecular weight of 359.47 g/mol, XLogP of 1.34, 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]-2-methylpropanamide is sourced from PubChem (CID 92553208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).