2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide

C15H27N5O — CID 80961589

IUPAC2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1cc(NC)nc(C(C)(C)C)n1
InChIInChI=1S/C15H27N5O/c1-7-17-13(21)10-20(8-2)12-9-11(16-6)18-14(19-12)15(3,4)5/h9H,7-8,10H2,1-6H3,(H,17,21)(H,16,18,19)
InChIKeyFRIDNJFZQKVPLY-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.78
Rot. Bonds6

About 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide

2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide (PubChem CID 80961589) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide
PubChem CID80961589
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1cc(NC)nc(C(C)(C)C)n1
InChIInChI=1S/C15H27N5O/c1-7-17-13(21)10-20(8-2)12-9-11(16-6)18-14(19-12)15(3,4)5/h9H,7-8,10H2,1-6H3,(H,17,21)(H,16,18,19)
InChIKeyFRIDNJFZQKVPLY-UHFFFAOYSA-N
XLogP1.78
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-amino-2-tert-butylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide
CID 80961691
2-tert-butyl-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80957345
N-ethyl-2-[ethyl-[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80941432
2-[butyl-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80961548
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80958949
2-[ethyl-[6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide
CID 80809279
N-ethyl-2-[ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 137015619
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
CID 80809651
N-[2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 80967857
4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772027
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80961185
3-[2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
CID 83118642

Frequently Asked Questions

What is the IUPAC name of 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide (CID 80961589) is 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)c1cc(NC)nc(C(C)(C)C)n1.
What is the InChIKey of 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide?
The InChIKey is FRIDNJFZQKVPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-7-17-13(21)10-20(8-2)12-9-11(16-6)18-14(19-12)15(3,4)5/h9H,7-8,10H2,1-6H3,(H,17,21)(H,16,18,19).
What are the key properties of 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide?
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide has a molecular weight of 293.42 g/mol, XLogP of 1.78, 6 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-(methylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 80961589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).