4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine

C12H22FN5 — CID 114133535

IUPAC4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine
SMILESCCC(C)N(C)CCNc1nc(NC)ncc1F
InChIInChI=1S/C12H22FN5/c1-5-9(2)18(4)7-6-15-11-10(13)8-16-12(14-3)17-11/h8-9H,5-7H2,1-4H3,(H2,14,15,16,17)
InChIKeyBICVQHGAQIPHBV-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.80
Rot. Bonds7

About 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine

4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine (PubChem CID 114133535) has the molecular formula C12H22FN5 and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine
PubChem CID114133535
Molecular FormulaC12H22FN5
Molecular Weight255.34 g/mol
Exact Mass255.19
IUPAC Name4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine
SMILESCCC(C)N(C)CCNc1nc(NC)ncc1F
InChIInChI=1S/C12H22FN5/c1-5-9(2)18(4)7-6-15-11-10(13)8-16-12(14-3)17-11/h8-9H,5-7H2,1-4H3,(H2,14,15,16,17)
InChIKeyBICVQHGAQIPHBV-UHFFFAOYSA-N
XLogP1.80
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(dimethylamino)propyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80819052
N-butan-2-yl-3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80819434
5-fluoro-2-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80828658
5-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106138236
5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336792
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779218
5-fluoro-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine
CID 80832624
4-N-(2-cyclopropylethyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80847388
4-N-[2-(dimethylamino)propyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80819161
5-fluoro-2-N-methyl-4-N-pentan-2-ylpyrimidine-2,4-diamine
CID 80770323
4-N-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80794050
5-fluoro-2-N-methyl-4-N-(6-methylsulfanylhexyl)pyrimidine-2,4-diamine
CID 114126675

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine (CID 114133535) is 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine is CCC(C)N(C)CCNc1nc(NC)ncc1F.
What is the InChIKey of 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is BICVQHGAQIPHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN5/c1-5-9(2)18(4)7-6-15-11-10(13)8-16-12(14-3)17-11/h8-9H,5-7H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 255.34 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 114133535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).