N-[1-[1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide

C13H20ClN5O — CID 119035683

IUPACN-[1-[1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide
SMILESCC(=O)NC(C)C1CCN(c2ncnc(N)c2Cl)CC1
InChIInChI=1S/C13H20ClN5O/c1-8(18-9(2)20)10-3-5-19(6-4-10)13-11(14)12(15)16-7-17-13/h7-8,10H,3-6H2,1-2H3,(H,18,20)(H2,15,16,17)
InChIKeyKKCJIUNPLCJMGV-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.45
Rot. Bonds3

About N-[1-[1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide

N-[1-[1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide (PubChem CID 119035683) has the molecular formula C13H20ClN5O and a molecular weight of 297.79 g/mol. Its IUPAC name is N-[1-[1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide
PubChem CID119035683
Molecular FormulaC13H20ClN5O
Molecular Weight297.79 g/mol
Exact Mass297.14
IUPAC NameN-[1-[1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide
SMILESCC(=O)NC(C)C1CCN(c2ncnc(N)c2Cl)CC1
InChIInChI=1S/C13H20ClN5O/c1-8(18-9(2)20)10-3-5-19(6-4-10)13-11(14)12(15)16-7-17-13/h7-8,10H,3-6H2,1-2H3,(H,18,20)(H2,15,16,17)
InChIKeyKKCJIUNPLCJMGV-UHFFFAOYSA-N
XLogP1.45
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide?
The IUPAC name of N-[1-[1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide (CID 119035683) is N-[1-[1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide is CC(=O)NC(C)C1CCN(c2ncnc(N)c2Cl)CC1.
What is the InChIKey of N-[1-[1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide?
The InChIKey is KKCJIUNPLCJMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O/c1-8(18-9(2)20)10-3-5-19(6-4-10)13-11(14)12(15)16-7-17-13/h7-8,10H,3-6H2,1-2H3,(H,18,20)(H2,15,16,17).
What are the key properties of N-[1-[1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide?
N-[1-[1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide has a molecular weight of 297.79 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide is sourced from PubChem (CID 119035683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).