N-tert-butyl-2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]acetamide

C13H19ClN4O — CID 113293276

IUPACN-tert-butyl-2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C13H19ClN4O/c1-13(2,3)18-11(19)7-15-10-6-9(14)16-12(17-10)8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyUOASFDFTNZJWIB-UHFFFAOYSA-N
MW282.78 g/mol
LogP2.33
Rot. Bonds4

About N-tert-butyl-2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]acetamide

N-tert-butyl-2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]acetamide (PubChem CID 113293276) has the molecular formula C13H19ClN4O and a molecular weight of 282.78 g/mol. Its IUPAC name is N-tert-butyl-2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]acetamide
PubChem CID113293276
Molecular FormulaC13H19ClN4O
Molecular Weight282.78 g/mol
Exact Mass282.12
IUPAC NameN-tert-butyl-2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C13H19ClN4O/c1-13(2,3)18-11(19)7-15-10-6-9(14)16-12(17-10)8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyUOASFDFTNZJWIB-UHFFFAOYSA-N
XLogP2.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.78
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]acetamide (CID 113293276) is N-tert-butyl-2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]acetamide is CC(C)(C)NC(=O)CNc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of N-tert-butyl-2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]acetamide?
The InChIKey is UOASFDFTNZJWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-13(2,3)18-11(19)7-15-10-6-9(14)16-12(17-10)8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,18,19)(H,15,16,17).
What are the key properties of N-tert-butyl-2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]acetamide?
N-tert-butyl-2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]acetamide has a molecular weight of 282.78 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 113293276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).