5-fluoro-2-N-methyl-4-N-pentan-2-ylpyrimidine-2,4-diamine

C10H17FN4 — CID 80770323

IUPAC5-fluoro-2-N-methyl-4-N-pentan-2-ylpyrimidine-2,4-diamine
SMILESCCCC(C)Nc1nc(NC)ncc1F
InChIInChI=1S/C10H17FN4/c1-4-5-7(2)14-9-8(11)6-13-10(12-3)15-9/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyYCNPXOFZVMUIHW-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.26
Rot. Bonds5

About 5-fluoro-2-N-methyl-4-N-pentan-2-ylpyrimidine-2,4-diamine

5-fluoro-2-N-methyl-4-N-pentan-2-ylpyrimidine-2,4-diamine (PubChem CID 80770323) has the molecular formula C10H17FN4 and a molecular weight of 212.27 g/mol. Its IUPAC name is 5-fluoro-2-N-methyl-4-N-pentan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-methyl-4-N-pentan-2-ylpyrimidine-2,4-diamine
PubChem CID80770323
Molecular FormulaC10H17FN4
Molecular Weight212.27 g/mol
Exact Mass212.14
IUPAC Name5-fluoro-2-N-methyl-4-N-pentan-2-ylpyrimidine-2,4-diamine
SMILESCCCC(C)Nc1nc(NC)ncc1F
InChIInChI=1S/C10H17FN4/c1-4-5-7(2)14-9-8(11)6-13-10(12-3)15-9/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyYCNPXOFZVMUIHW-UHFFFAOYSA-N
XLogP2.26
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-2-N-methyl-4-N-pentan-2-ylpyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-butan-2-yl-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80765731
4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80803176
5-bromo-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine
CID 80822744
4-N-[2-(dimethylamino)propyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80819052
5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80837117
5-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)pyrimidin-4-amine
CID 80915239
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779218
5-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106138236
N-butan-2-yl-3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80819434
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180608
5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336792
5-bromo-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine
CID 80932768

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-methyl-4-N-pentan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-methyl-4-N-pentan-2-ylpyrimidine-2,4-diamine (CID 80770323) is 5-fluoro-2-N-methyl-4-N-pentan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-methyl-4-N-pentan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-methyl-4-N-pentan-2-ylpyrimidine-2,4-diamine is CCCC(C)Nc1nc(NC)ncc1F.
What is the InChIKey of 5-fluoro-2-N-methyl-4-N-pentan-2-ylpyrimidine-2,4-diamine?
The InChIKey is YCNPXOFZVMUIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4/c1-4-5-7(2)14-9-8(11)6-13-10(12-3)15-9/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 5-fluoro-2-N-methyl-4-N-pentan-2-ylpyrimidine-2,4-diamine?
5-fluoro-2-N-methyl-4-N-pentan-2-ylpyrimidine-2,4-diamine has a molecular weight of 212.27 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-methyl-4-N-pentan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 80770323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).