5-fluoro-2-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine

C10H13FN6 — CID 80829925

IUPAC5-fluoro-2-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCc2nccn2C)n1
InChIInChI=1S/C10H13FN6/c1-12-10-15-5-7(11)9(16-10)14-6-8-13-3-4-17(8)2/h3-5H,6H2,1-2H3,(H2,12,14,15,16)
InChIKeyREOHHDPUNLNVCO-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.00
Rot. Bonds4

About 5-fluoro-2-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine

5-fluoro-2-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80829925) has the molecular formula C10H13FN6 and a molecular weight of 236.25 g/mol. Its IUPAC name is 5-fluoro-2-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80829925
Molecular FormulaC10H13FN6
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Name5-fluoro-2-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCc2nccn2C)n1
InChIInChI=1S/C10H13FN6/c1-12-10-15-5-7(11)9(16-10)14-6-8-13-3-4-17(8)2/h3-5H,6H2,1-2H3,(H2,12,14,15,16)
InChIKeyREOHHDPUNLNVCO-UHFFFAOYSA-N
XLogP1.00
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-5-fluoro-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 80829928
5-fluoro-2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80914824
5-bromo-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 104924181
3-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 83062959
5-fluoro-2-N-methyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-2,4-diamine
CID 106898146
2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43088131
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 80841199
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]propan-2-ol
CID 80779218
4-N-tert-butyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80768846
3-[(1-methylimidazol-2-yl)methylamino]pyrazine-2-carbonitrile
CID 63239072
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-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine (CID 80829925) is 5-fluoro-2-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine is CNc1ncc(F)c(NCc2nccn2C)n1.
What is the InChIKey of 5-fluoro-2-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is REOHHDPUNLNVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN6/c1-12-10-15-5-7(11)9(16-10)14-6-8-13-3-4-17(8)2/h3-5H,6H2,1-2H3,(H2,12,14,15,16).
What are the key properties of 5-fluoro-2-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine?
5-fluoro-2-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 236.25 g/mol, XLogP of 1.00, 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-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80829925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).