N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide

C16H25N5O2 — CID 135515955

IUPACN-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
SMILESCCc1c(C)nc(N2CCN(CC(=O)NC3CC3)CC2)[nH]c1=O
InChIInChI=1S/C16H25N5O2/c1-3-13-11(2)17-16(19-15(13)23)21-8-6-20(7-9-21)10-14(22)18-12-4-5-12/h12H,3-10H2,1-2H3,(H,18,22)(H,17,19,23)
InChIKeyBGVGGESALCVFGT-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.04
Rot. Bonds5

About N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide (PubChem CID 135515955) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
PubChem CID135515955
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
SMILESCCc1c(C)nc(N2CCN(CC(=O)NC3CC3)CC2)[nH]c1=O
InChIInChI=1S/C16H25N5O2/c1-3-13-11(2)17-16(19-15(13)23)21-8-6-20(7-9-21)10-14(22)18-12-4-5-12/h12H,3-10H2,1-2H3,(H,18,22)(H,17,19,23)
InChIKeyBGVGGESALCVFGT-UHFFFAOYSA-N
XLogP0.04
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide 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-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide (CID 135515955) is N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide is CCc1c(C)nc(N2CCN(CC(=O)NC3CC3)CC2)[nH]c1=O.
What is the InChIKey of N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide?
The InChIKey is BGVGGESALCVFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-3-13-11(2)17-16(19-15(13)23)21-8-6-20(7-9-21)10-14(22)18-12-4-5-12/h12H,3-10H2,1-2H3,(H,18,22)(H,17,19,23).
What are the key properties of N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide has a molecular weight of 319.41 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 135515955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).