N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C13H21N5O — CID 651294

IUPACN-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCC(C)NC(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H21N5O/c1-11(2)16-12(19)10-17-6-8-18(9-7-17)13-14-4-3-5-15-13/h3-5,11H,6-10H2,1-2H3,(H,16,19)
InChIKeyBMCZMJZSTABISE-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.12
Rot. Bonds4

About N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 651294) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID651294
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCC(C)NC(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H21N5O/c1-11(2)16-12(19)10-17-6-8-18(9-7-17)13-14-4-3-5-15-13/h3-5,11H,6-10H2,1-2H3,(H,16,19)
InChIKeyBMCZMJZSTABISE-UHFFFAOYSA-N
XLogP0.12
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 651294) is N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is CC(C)NC(=O)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is BMCZMJZSTABISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-11(2)16-12(19)10-17-6-8-18(9-7-17)13-14-4-3-5-15-13/h3-5,11H,6-10H2,1-2H3,(H,16,19).
What are the key properties of N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 651294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).