3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide

C13H23N5O — CID 106280708

IUPAC3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
SMILESCCNc1ncnc(NCC(C)(C)C(=O)NC)c1C
InChIInChI=1S/C13H23N5O/c1-6-15-10-9(2)11(18-8-17-10)16-7-13(3,4)12(19)14-5/h8H,6-7H2,1-5H3,(H,14,19)(H2,15,16,17,18)
InChIKeyHKGNQKHGXFPVGF-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.40
Rot. Bonds6

About 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide

3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide (PubChem CID 106280708) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
PubChem CID106280708
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
SMILESCCNc1ncnc(NCC(C)(C)C(=O)NC)c1C
InChIInChI=1S/C13H23N5O/c1-6-15-10-9(2)11(18-8-17-10)16-7-13(3,4)12(19)14-5/h8H,6-7H2,1-5H3,(H,14,19)(H2,15,16,17,18)
InChIKeyHKGNQKHGXFPVGF-UHFFFAOYSA-N
XLogP1.40
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280673
3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 114167654
4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 103466542
3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide
CID 106280809
3-[(6-amino-5-bromopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 114167793
3-[(5-iodopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106278251
3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280710
N,2,2-trimethyl-3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propanamide
CID 103823303
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106280798
N-ethyl-2-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetamide
CID 80787425
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propanamide
CID 80787743
3-[(3-cyanopyrazin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 103823311

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide (CID 106280708) is 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide is CCNc1ncnc(NCC(C)(C)C(=O)NC)c1C.
What is the InChIKey of 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide?
The InChIKey is HKGNQKHGXFPVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-6-15-10-9(2)11(18-8-17-10)16-7-13(3,4)12(19)14-5/h8H,6-7H2,1-5H3,(H,14,19)(H2,15,16,17,18).
What are the key properties of 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide?
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide has a molecular weight of 265.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106280708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).