N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylpropanamide

C12H19FN4O — CID 103270043

IUPACN-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCCc1ncnc(NC(C)C(=O)N(C)CC)c1F
InChIInChI=1S/C12H19FN4O/c1-5-9-10(13)11(15-7-14-9)16-8(3)12(18)17(4)6-2/h7-8H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyRYZCRSUHRSUKFR-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.46
Rot. Bonds5

About N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylpropanamide

N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylpropanamide (PubChem CID 103270043) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylpropanamide
PubChem CID103270043
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC NameN-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCCc1ncnc(NC(C)C(=O)N(C)CC)c1F
InChIInChI=1S/C12H19FN4O/c1-5-9-10(13)11(15-7-14-9)16-8(3)12(18)17(4)6-2/h7-8H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyRYZCRSUHRSUKFR-UHFFFAOYSA-N
XLogP1.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylpropanamide?
The IUPAC name of N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylpropanamide (CID 103270043) is N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylpropanamide.
What is the SMILES notation for N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylpropanamide?
The canonical SMILES for N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylpropanamide is CCc1ncnc(NC(C)C(=O)N(C)CC)c1F.
What is the InChIKey of N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylpropanamide?
The InChIKey is RYZCRSUHRSUKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-5-9-10(13)11(15-7-14-9)16-8(3)12(18)17(4)6-2/h7-8H,5-6H2,1-4H3,(H,14,15,16).
What are the key properties of N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylpropanamide?
N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylpropanamide has a molecular weight of 254.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 103270043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).