4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine

C12H22FN5 — CID 103192486

IUPAC4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
SMILESCCN(c1nc(NC)ncc1F)C(C)CN(C)C
InChIInChI=1S/C12H22FN5/c1-6-18(9(2)8-17(4)5)11-10(13)7-15-12(14-3)16-11/h7,9H,6,8H2,1-5H3,(H,14,15,16)
InChIKeyFZWYOAAFZSLLAW-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.43
Rot. Bonds6

About 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine

4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine (PubChem CID 103192486) has the molecular formula C12H22FN5 and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
PubChem CID103192486
Molecular FormulaC12H22FN5
Molecular Weight255.34 g/mol
Exact Mass255.19
IUPAC Name4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
SMILESCCN(c1nc(NC)ncc1F)C(C)CN(C)C
InChIInChI=1S/C12H22FN5/c1-6-18(9(2)8-17(4)5)11-10(13)7-15-12(14-3)16-11/h7,9H,6,8H2,1-5H3,(H,14,15,16)
InChIKeyFZWYOAAFZSLLAW-UHFFFAOYSA-N
XLogP1.43
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine (CID 103192486) is 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine is CCN(c1nc(NC)ncc1F)C(C)CN(C)C.
What is the InChIKey of 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is FZWYOAAFZSLLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN5/c1-6-18(9(2)8-17(4)5)11-10(13)7-15-12(14-3)16-11/h7,9H,6,8H2,1-5H3,(H,14,15,16).
What are the key properties of 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 255.34 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 103192486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).