3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylpropanamide

C12H19FN4O — CID 103867485

IUPAC3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
SMILESCCc1ncnc(NCCC(=O)NC(C)C)c1F
InChIInChI=1S/C12H19FN4O/c1-4-9-11(13)12(16-7-15-9)14-6-5-10(18)17-8(2)3/h7-8H,4-6H2,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyPJPHHSRBJBWFMM-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.50
Rot. Bonds6

About 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylpropanamide

3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylpropanamide (PubChem CID 103867485) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
PubChem CID103867485
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
SMILESCCc1ncnc(NCCC(=O)NC(C)C)c1F
InChIInChI=1S/C12H19FN4O/c1-4-9-11(13)12(16-7-15-9)14-6-5-10(18)17-8(2)3/h7-8H,4-6H2,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyPJPHHSRBJBWFMM-UHFFFAOYSA-N
XLogP1.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylpropanamide (CID 103867485) is 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylpropanamide is CCc1ncnc(NCCC(=O)NC(C)C)c1F.
What is the InChIKey of 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylpropanamide?
The InChIKey is PJPHHSRBJBWFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-4-9-11(13)12(16-7-15-9)14-6-5-10(18)17-8(2)3/h7-8H,4-6H2,1-3H3,(H,17,18)(H,14,15,16).
What are the key properties of 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylpropanamide?
3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylpropanamide has a molecular weight of 254.31 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 103867485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).