4-N-(1-ethoxypropan-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine

C10H17FN4O — CID 80813193

IUPAC4-N-(1-ethoxypropan-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
SMILESCCOCC(C)Nc1nc(NC)ncc1F
InChIInChI=1S/C10H17FN4O/c1-4-16-6-7(2)14-9-8(11)5-13-10(12-3)15-9/h5,7H,4,6H2,1-3H3,(H2,12,13,14,15)
InChIKeyCEUPCQORJDPKQZ-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.49
Rot. Bonds6

About 4-N-(1-ethoxypropan-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine

4-N-(1-ethoxypropan-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80813193) has the molecular formula C10H17FN4O and a molecular weight of 228.27 g/mol. Its IUPAC name is 4-N-(1-ethoxypropan-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-ethoxypropan-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
PubChem CID80813193
Molecular FormulaC10H17FN4O
Molecular Weight228.27 g/mol
Exact Mass228.14
IUPAC Name4-N-(1-ethoxypropan-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
SMILESCCOCC(C)Nc1nc(NC)ncc1F
InChIInChI=1S/C10H17FN4O/c1-4-16-6-7(2)14-9-8(11)5-13-10(12-3)15-9/h5,7H,4,6H2,1-3H3,(H2,12,13,14,15)
InChIKeyCEUPCQORJDPKQZ-UHFFFAOYSA-N
XLogP1.49
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-ethoxypropan-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-ethoxypropan-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine (CID 80813193) is 4-N-(1-ethoxypropan-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-ethoxypropan-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-ethoxypropan-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine is CCOCC(C)Nc1nc(NC)ncc1F.
What is the InChIKey of 4-N-(1-ethoxypropan-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is CEUPCQORJDPKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4O/c1-4-16-6-7(2)14-9-8(11)5-13-10(12-3)15-9/h5,7H,4,6H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-N-(1-ethoxypropan-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
4-N-(1-ethoxypropan-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 228.27 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-ethoxypropan-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80813193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).