3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide

C12H20N4O2 — CID 66325613

IUPAC3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCCOc1ncnc(NCCC(=O)N(C)C)c1C
InChIInChI=1S/C12H20N4O2/c1-5-18-12-9(2)11(14-8-15-12)13-7-6-10(17)16(3)4/h8H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyMXYLWJRXSSINSD-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.07
Rot. Bonds6

About 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide

3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide (PubChem CID 66325613) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
PubChem CID66325613
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCCOc1ncnc(NCCC(=O)N(C)C)c1C
InChIInChI=1S/C12H20N4O2/c1-5-18-12-9(2)11(14-8-15-12)13-7-6-10(17)16(3)4/h8H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyMXYLWJRXSSINSD-UHFFFAOYSA-N
XLogP1.07
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5H,6H,7H,8H-pyrimido[5,4-f][1,4]oxazepin-5-one
CID 67450168
4-Amino-6-methyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 71770665
3-[(6-Methoxy-2,5-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 91661039
6-ethoxy-5-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 66326660
6-ethoxy-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 66326872
6-ethoxy-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 66327860
N,5-dimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80858385
5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80858473
N-ethyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80858559
5-methyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
CID 80868388
N-ethyl-5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
CID 80868473
5-methyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80877217

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide (CID 66325613) is 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide is CCOc1ncnc(NCCC(=O)N(C)C)c1C.
What is the InChIKey of 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is MXYLWJRXSSINSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-5-18-12-9(2)11(14-8-15-12)13-7-6-10(17)16(3)4/h8H,5-7H2,1-4H3,(H,13,14,15).
What are the key properties of 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 252.32 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 66325613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).