5-fluoro-2-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine

C11H13FN4O — CID 80832556

IUPAC5-fluoro-2-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCc2ccc(C)o2)n1
InChIInChI=1S/C11H13FN4O/c1-7-3-4-8(17-7)5-14-10-9(12)6-15-11(13-2)16-10/h3-4,6H,5H2,1-2H3,(H2,13,14,15,16)
InChIKeyAKFPPSWQTXHPER-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.17
Rot. Bonds4

About 5-fluoro-2-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine

5-fluoro-2-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80832556) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 5-fluoro-2-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80832556
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name5-fluoro-2-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCc2ccc(C)o2)n1
InChIInChI=1S/C11H13FN4O/c1-7-3-4-8(17-7)5-14-10-9(12)6-15-11(13-2)16-10/h3-4,6H,5H2,1-2H3,(H2,13,14,15,16)
InChIKeyAKFPPSWQTXHPER-UHFFFAOYSA-N
XLogP2.17
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine
CID 62734741
5-fluoro-2-N-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80825138
6-N,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine
CID 80832158
5-fluoro-2-N-methyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-2,4-diamine
CID 106898146
5-fluoro-4-N-(1,2-oxazol-5-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 114187078
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 80841199
5-ethyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine
CID 80833185
5-fluoro-2-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 80829925
5-fluoro-2-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80828658
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779218
5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336792
4-N-[2-(dimethylamino)propyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80819052

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine (CID 80832556) is 5-fluoro-2-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine is CNc1ncc(F)c(NCc2ccc(C)o2)n1.
What is the InChIKey of 5-fluoro-2-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is AKFPPSWQTXHPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-7-3-4-8(17-7)5-14-10-9(12)6-15-11(13-2)16-10/h3-4,6H,5H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-fluoro-2-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine?
5-fluoro-2-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 236.25 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80832556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).