2-[4-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide

C14H22ClN5O — CID 71980314

IUPAC2-[4-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide
SMILESCCc1nc(Cl)c(C)c(NC2CCN(CC(N)=O)CC2)n1
InChIInChI=1S/C14H22ClN5O/c1-3-12-18-13(15)9(2)14(19-12)17-10-4-6-20(7-5-10)8-11(16)21/h10H,3-8H2,1-2H3,(H2,16,21)(H,17,18,19)
InChIKeySAAZYPUQFKOXIK-UHFFFAOYSA-N
MW311.82 g/mol
LogP1.36
Rot. Bonds5

About 2-[4-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide

2-[4-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide (PubChem CID 71980314) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is 2-[4-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide
PubChem CID71980314
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name2-[4-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide
SMILESCCc1nc(Cl)c(C)c(NC2CCN(CC(N)=O)CC2)n1
InChIInChI=1S/C14H22ClN5O/c1-3-12-18-13(15)9(2)14(19-12)17-10-4-6-20(7-5-10)8-11(16)21/h10H,3-8H2,1-2H3,(H2,16,21)(H,17,18,19)
InChIKeySAAZYPUQFKOXIK-UHFFFAOYSA-N
XLogP1.36
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide (CID 71980314) is 2-[4-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide is CCc1nc(Cl)c(C)c(NC2CCN(CC(N)=O)CC2)n1.
What is the InChIKey of 2-[4-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
The InChIKey is SAAZYPUQFKOXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5O/c1-3-12-18-13(15)9(2)14(19-12)17-10-4-6-20(7-5-10)8-11(16)21/h10H,3-8H2,1-2H3,(H2,16,21)(H,17,18,19).
What are the key properties of 2-[4-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
2-[4-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide has a molecular weight of 311.82 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 71980314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).