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

C12H21N5O — CID 80814270

IUPAC3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide
SMILESCCNc1nc(C)cc(NCCC(=O)N(C)C)n1
InChIInChI=1S/C12H21N5O/c1-5-13-12-15-9(2)8-10(16-12)14-7-6-11(18)17(3)4/h8H,5-7H2,1-4H3,(H2,13,14,15,16)
InChIKeyNJAAHKCDQVOQQB-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.11
Rot. Bonds6

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

3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide (PubChem CID 80814270) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide
PubChem CID80814270
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide
SMILESCCNc1nc(C)cc(NCCC(=O)N(C)C)n1
InChIInChI=1S/C12H21N5O/c1-5-13-12-15-9(2)8-10(16-12)14-7-6-11(18)17(3)4/h8H,5-7H2,1-4H3,(H2,13,14,15,16)
InChIKeyNJAAHKCDQVOQQB-UHFFFAOYSA-N
XLogP1.11
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80814000
ethyl 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanoate
CID 80816143
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide
CID 80787003
N,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80784037
4-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80777282
3-[[6-(ethylamino)-2-pyridinyl]amino]-N,N-dimethylpropanamide
CID 80813274
3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819138
2-N-ethyl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80766008
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80903463
4-acetyl-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide
CID 122325518
2-N-ethyl-6-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80828673
N,N-dimethyl-3-[(6-methyl-2-pyridinyl)amino]propanamide
CID 60926392

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide (CID 80814270) is 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide is CCNc1nc(C)cc(NCCC(=O)N(C)C)n1.
What is the InChIKey of 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
The InChIKey is NJAAHKCDQVOQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-5-13-12-15-9(2)8-10(16-12)14-7-6-11(18)17(3)4/h8H,5-7H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 80814270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).