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

C11H17ClN4O — CID 115356881

IUPACN-tert-butyl-2-[(2-chloro-5-methylpyrimidin-4-yl)amino]acetamide
SMILESCc1cnc(Cl)nc1NCC(=O)NC(C)(C)C
InChIInChI=1S/C11H17ClN4O/c1-7-5-14-10(12)15-9(7)13-6-8(17)16-11(2,3)4/h5H,6H2,1-4H3,(H,16,17)(H,13,14,15)
InChIKeyGRMJEFSCPXHHFP-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.77
Rot. Bonds3

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

N-tert-butyl-2-[(2-chloro-5-methylpyrimidin-4-yl)amino]acetamide (PubChem CID 115356881) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-chloro-5-methylpyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-chloro-5-methylpyrimidin-4-yl)amino]acetamide
PubChem CID115356881
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC NameN-tert-butyl-2-[(2-chloro-5-methylpyrimidin-4-yl)amino]acetamide
SMILESCc1cnc(Cl)nc1NCC(=O)NC(C)(C)C
InChIInChI=1S/C11H17ClN4O/c1-7-5-14-10(12)15-9(7)13-6-8(17)16-11(2,3)4/h5H,6H2,1-4H3,(H,16,17)(H,13,14,15)
InChIKeyGRMJEFSCPXHHFP-UHFFFAOYSA-N
XLogP1.77
TPSA66.91 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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propylacetamide
CID 79075450
N-tert-butyl-2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetamide
CID 115357443
N-tert-butyl-2-[(3-chloro-5,6-dimethylpyrazin-2-yl)amino]acetamide
CID 113293280
N-tert-butyl-2-[(3-chloro-2-pyridinyl)amino]acetamide
CID 115279391
2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107854394
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide
CID 105367068
2-chloro-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 79076599
N-tert-butyl-2-[(5-chloro-2-pyridinyl)amino]acetamide
CID 79035029
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-tert-butylacetamide
CID 113293343
N-tert-butyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83268004
N-tert-butyl-2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 113293277
N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]acetamide
CID 78911718

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-chloro-5-methylpyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(2-chloro-5-methylpyrimidin-4-yl)amino]acetamide (CID 115356881) is N-tert-butyl-2-[(2-chloro-5-methylpyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(2-chloro-5-methylpyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(2-chloro-5-methylpyrimidin-4-yl)amino]acetamide is Cc1cnc(Cl)nc1NCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(2-chloro-5-methylpyrimidin-4-yl)amino]acetamide?
The InChIKey is GRMJEFSCPXHHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-7-5-14-10(12)15-9(7)13-6-8(17)16-11(2,3)4/h5H,6H2,1-4H3,(H,16,17)(H,13,14,15).
What are the key properties of N-tert-butyl-2-[(2-chloro-5-methylpyrimidin-4-yl)amino]acetamide?
N-tert-butyl-2-[(2-chloro-5-methylpyrimidin-4-yl)amino]acetamide has a molecular weight of 256.74 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-chloro-5-methylpyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 115356881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).