2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[(2R)-butan-2-yl]acetamide

C14H23ClN6O — CID 51983147

IUPAC2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[(2R)-butan-2-yl]acetamide
SMILESCC[C@@H](C)NC(=O)CN1CCN(c2cc(Cl)nc(N)n2)CC1
InChIInChI=1S/C14H23ClN6O/c1-3-10(2)17-13(22)9-20-4-6-21(7-5-20)12-8-11(15)18-14(16)19-12/h8,10H,3-7,9H2,1-2H3,(H,17,22)(H2,16,18,19)/t10-/m1/s1
InChIKeyFWTQQZNSRWKVIW-SNVBAGLBSA-N
MW326.83 g/mol
LogP0.75
Rot. Bonds5

About 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[(2R)-butan-2-yl]acetamide

2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[(2R)-butan-2-yl]acetamide (PubChem CID 51983147) has the molecular formula C14H23ClN6O and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[(2R)-butan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[(2R)-butan-2-yl]acetamide
PubChem CID51983147
Molecular FormulaC14H23ClN6O
Molecular Weight326.83 g/mol
Exact Mass326.16
IUPAC Name2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[(2R)-butan-2-yl]acetamide
SMILESCC[C@@H](C)NC(=O)CN1CCN(c2cc(Cl)nc(N)n2)CC1
InChIInChI=1S/C14H23ClN6O/c1-3-10(2)17-13(22)9-20-4-6-21(7-5-20)12-8-11(15)18-14(16)19-12/h8,10H,3-7,9H2,1-2H3,(H,17,22)(H2,16,18,19)/t10-/m1/s1
InChIKeyFWTQQZNSRWKVIW-SNVBAGLBSA-N
XLogP0.75
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[(2R)-butan-2-yl]acetamide with MolForge

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Related Compounds

2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide
CID 47159148
2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 31537927
2-[4-[2-amino-6-(diethylamino)pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 50964709
ethyl 4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate
CID 1481937
N-[(2S)-butan-2-yl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide
CID 95980361
4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylic acid
CID 118063077
N-[(2R)-butan-2-yl]-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 9258777
N-butan-2-yl-2-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]acetamide
CID 46571527
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8529938
N-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide
CID 32665716
N-butan-2-yl-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 42949565
N-butan-2-yl-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide
CID 47007098

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[(2R)-butan-2-yl]acetamide?
The IUPAC name of 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[(2R)-butan-2-yl]acetamide (CID 51983147) is 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[(2R)-butan-2-yl]acetamide.
What is the SMILES notation for 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[(2R)-butan-2-yl]acetamide?
The canonical SMILES for 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[(2R)-butan-2-yl]acetamide is CC[C@@H](C)NC(=O)CN1CCN(c2cc(Cl)nc(N)n2)CC1.
What is the InChIKey of 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[(2R)-butan-2-yl]acetamide?
The InChIKey is FWTQQZNSRWKVIW-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H23ClN6O/c1-3-10(2)17-13(22)9-20-4-6-21(7-5-20)12-8-11(15)18-14(16)19-12/h8,10H,3-7,9H2,1-2H3,(H,17,22)(H2,16,18,19)/t10-/m1/s1.
What are the key properties of 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[(2R)-butan-2-yl]acetamide?
2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[(2R)-butan-2-yl]acetamide has a molecular weight of 326.83 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[(2R)-butan-2-yl]acetamide is sourced from PubChem (CID 51983147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).