2-[4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]-N-ethylacetamide

C15H24ClN5O — CID 71980313

IUPAC2-[4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(c2nc(CC)nc(Cl)c2C)CC1
InChIInChI=1S/C15H24ClN5O/c1-4-12-18-14(16)11(3)15(19-12)21-8-6-20(7-9-21)10-13(22)17-5-2/h4-10H2,1-3H3,(H,17,22)
InChIKeyTXDOWHAOGUUFSY-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.26
Rot. Bonds5

About 2-[4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]-N-ethylacetamide

2-[4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]-N-ethylacetamide (PubChem CID 71980313) has the molecular formula C15H24ClN5O and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-[4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]-N-ethylacetamide
PubChem CID71980313
Molecular FormulaC15H24ClN5O
Molecular Weight325.84 g/mol
Exact Mass325.17
IUPAC Name2-[4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(c2nc(CC)nc(Cl)c2C)CC1
InChIInChI=1S/C15H24ClN5O/c1-4-12-18-14(16)11(3)15(19-12)21-8-6-20(7-9-21)10-13(22)17-5-2/h4-10H2,1-3H3,(H,17,22)
InChIKeyTXDOWHAOGUUFSY-UHFFFAOYSA-N
XLogP1.26
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidine-4-carboxamide
CID 79238224
2-[4-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 56768598
4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 79237706
1-[4-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 80971021
N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437
4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,4-thiazepane 1,1-dioxide
CID 103739604
[4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95785288
2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-ethylacetamide
CID 133273980
4-chloro-2-ethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine
CID 80972513
2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-ethylacetamide
CID 90507422
2-[4-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide
CID 71980314
N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide
CID 77084591

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]-N-ethylacetamide (CID 71980313) is 2-[4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(c2nc(CC)nc(Cl)c2C)CC1.
What is the InChIKey of 2-[4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]-N-ethylacetamide?
The InChIKey is TXDOWHAOGUUFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN5O/c1-4-12-18-14(16)11(3)15(19-12)21-8-6-20(7-9-21)10-13(22)17-5-2/h4-10H2,1-3H3,(H,17,22).
What are the key properties of 2-[4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]-N-ethylacetamide?
2-[4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]-N-ethylacetamide has a molecular weight of 325.84 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 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)piperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 71980313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).