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

C13H23N5O — CID 115357443

IUPACN-tert-butyl-2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetamide
SMILESCCNc1ncc(C)c(NCC(=O)NC(C)(C)C)n1
InChIInChI=1S/C13H23N5O/c1-6-14-12-16-7-9(2)11(17-12)15-8-10(19)18-13(3,4)5/h7H,6,8H2,1-5H3,(H,18,19)(H2,14,15,16,17)
InChIKeyDRQGLUMQVIWJJW-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.54
Rot. Bonds5

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

N-tert-butyl-2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetamide (PubChem CID 115357443) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetamide
PubChem CID115357443
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-tert-butyl-2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetamide
SMILESCCNc1ncc(C)c(NCC(=O)NC(C)(C)C)n1
InChIInChI=1S/C13H23N5O/c1-6-14-12-16-7-9(2)11(17-12)15-8-10(19)18-13(3,4)5/h7H,6,8H2,1-5H3,(H,18,19)(H2,14,15,16,17)
InChIKeyDRQGLUMQVIWJJW-UHFFFAOYSA-N
XLogP1.54
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetamide (CID 115357443) is N-tert-butyl-2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetamide is CCNc1ncc(C)c(NCC(=O)NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetamide?
The InChIKey is DRQGLUMQVIWJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-6-14-12-16-7-9(2)11(17-12)15-8-10(19)18-13(3,4)5/h7H,6,8H2,1-5H3,(H,18,19)(H2,14,15,16,17).
What are the key properties of N-tert-butyl-2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetamide?
N-tert-butyl-2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 115357443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).