2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]acetamide

C11H17ClN4O — CID 80970188

IUPAC2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]acetamide
SMILESCc1c(Cl)nc(C(C)(C)C)nc1NCC(N)=O
InChIInChI=1S/C11H17ClN4O/c1-6-8(12)15-10(11(2,3)4)16-9(6)14-5-7(13)17/h5H2,1-4H3,(H2,13,17)(H,14,15,16)
InChIKeyCQNPBOIKEHKFCO-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.63
Rot. Bonds3

About 2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]acetamide

2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]acetamide (PubChem CID 80970188) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]acetamide
PubChem CID80970188
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]acetamide
SMILESCc1c(Cl)nc(C(C)(C)C)nc1NCC(N)=O
InChIInChI=1S/C11H17ClN4O/c1-6-8(12)15-10(11(2,3)4)16-9(6)14-5-7(13)17/h5H2,1-4H3,(H2,13,17)(H,14,15,16)
InChIKeyCQNPBOIKEHKFCO-UHFFFAOYSA-N
XLogP1.63
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]propanamide
CID 80971178
2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80981514
3-[2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83112527
2-tert-butyl-6-chloro-N-(2,2-dimethylbutyl)-5-methylpyrimidin-4-amine
CID 103463623
2-tert-butyl-6-chloro-5-methyl-N-(2-methylsulfinylethyl)pyrimidin-4-amine
CID 113480418
3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]propane-1-sulfonamide
CID 80971808
2-tert-butyl-6-chloro-N-(3-ethylpentan-3-yl)-5-methylpyrimidin-4-amine
CID 80978304
N-but-3-enyl-2-tert-butyl-6-chloro-5-methylpyrimidin-4-amine
CID 106196201
2-tert-butyl-6-chloro-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80970078
methyl 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate
CID 81000583
methyl 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]acetate
CID 80981003
3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol
CID 83186603

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]acetamide?
The IUPAC name of 2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]acetamide (CID 80970188) is 2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for 2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]acetamide?
The canonical SMILES for 2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]acetamide is Cc1c(Cl)nc(C(C)(C)C)nc1NCC(N)=O.
What is the InChIKey of 2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]acetamide?
The InChIKey is CQNPBOIKEHKFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-6-8(12)15-10(11(2,3)4)16-9(6)14-5-7(13)17/h5H2,1-4H3,(H2,13,17)(H,14,15,16).
What are the key properties of 2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]acetamide?
2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]acetamide has a molecular weight of 256.74 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 80970188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).