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

C11H13FN6 — CID 80825138

IUPAC5-fluoro-2-N-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCc2cnc(C)cn2)n1
InChIInChI=1S/C11H13FN6/c1-7-3-15-8(4-14-7)5-16-10-9(12)6-17-11(13-2)18-10/h3-4,6H,5H2,1-2H3,(H2,13,16,17,18)
InChIKeyFDMDQECZVDYEHN-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.37
Rot. Bonds4

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

5-fluoro-2-N-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80825138) has the molecular formula C11H13FN6 and a molecular weight of 248.27 g/mol. Its IUPAC name is 5-fluoro-2-N-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80825138
Molecular FormulaC11H13FN6
Molecular Weight248.27 g/mol
Exact Mass248.12
IUPAC Name5-fluoro-2-N-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCc2cnc(C)cn2)n1
InChIInChI=1S/C11H13FN6/c1-7-3-15-8(4-14-7)5-16-10-9(12)6-17-11(13-2)18-10/h3-4,6H,5H2,1-2H3,(H2,13,16,17,18)
InChIKeyFDMDQECZVDYEHN-UHFFFAOYSA-N
XLogP1.37
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 79080911
5-fluoro-2-N-methyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-2,4-diamine
CID 106898146
5-fluoro-2-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine
CID 80832556
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 80841199
4-N-(2-cyclopropylethyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80847388
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-chloro-4-N-[(5-methylpyrazin-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80824616
2-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,5-diamine
CID 62846987
4-N-tert-butyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80768846
5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336792

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4-diamine (CID 80825138) is 5-fluoro-2-N-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4-diamine is CNc1ncc(F)c(NCc2cnc(C)cn2)n1.
What is the InChIKey of 5-fluoro-2-N-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is FDMDQECZVDYEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN6/c1-7-3-15-8(4-14-7)5-16-10-9(12)6-17-11(13-2)18-10/h3-4,6H,5H2,1-2H3,(H2,13,16,17,18).
What are the key properties of 5-fluoro-2-N-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4-diamine?
5-fluoro-2-N-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 248.27 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80825138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).