2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]acetamide

C14H25N5O — CID 80993837

IUPAC2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]acetamide
SMILESCCNc1nc(C(C)(C)C)nc(N(C)CC(N)=O)c1C
InChIInChI=1S/C14H25N5O/c1-7-16-11-9(2)12(19(6)8-10(15)20)18-13(17-11)14(3,4)5/h7-8H2,1-6H3,(H2,15,20)(H,16,17,18)
InChIKeyCVYCGSHOFOCVCI-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.44
Rot. Bonds5

About 2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]acetamide

2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]acetamide (PubChem CID 80993837) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]acetamide
PubChem CID80993837
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]acetamide
SMILESCCNc1nc(C(C)(C)C)nc(N(C)CC(N)=O)c1C
InChIInChI=1S/C14H25N5O/c1-7-16-11-9(2)12(19(6)8-10(15)20)18-13(17-11)14(3,4)5/h7-8H2,1-6H3,(H2,15,20)(H,16,17,18)
InChIKeyCVYCGSHOFOCVCI-UHFFFAOYSA-N
XLogP1.44
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propanenitrile
CID 80977344
2-tert-butyl-6-N-ethyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80986621
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80779123
2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80993390
2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80993309
1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 81007045
1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 81006399
2-tert-butyl-4-N,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80985818
2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80981514
2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]acetamide
CID 80970188
2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80993475
2-tert-butyl-4-N,6-N,5-trimethyl-4-N-pentylpyrimidine-4,6-diamine
CID 80993292

Frequently Asked Questions

What is the IUPAC name of 2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]acetamide?
The IUPAC name of 2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]acetamide (CID 80993837) is 2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]acetamide.
What is the SMILES notation for 2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]acetamide?
The canonical SMILES for 2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]acetamide is CCNc1nc(C(C)(C)C)nc(N(C)CC(N)=O)c1C.
What is the InChIKey of 2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]acetamide?
The InChIKey is CVYCGSHOFOCVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-7-16-11-9(2)12(19(6)8-10(15)20)18-13(17-11)14(3,4)5/h7-8H2,1-6H3,(H2,15,20)(H,16,17,18).
What are the key properties of 2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]acetamide?
2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]acetamide has a molecular weight of 279.39 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]acetamide is sourced from PubChem (CID 80993837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).