5-fluoro-4-N-methyl-2-N-propyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine

C12H19FN4S — CID 80783482

IUPAC5-fluoro-4-N-methyl-2-N-propyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(N(C)C2CCSC2)n1
InChIInChI=1S/C12H19FN4S/c1-3-5-14-12-15-7-10(13)11(16-12)17(2)9-4-6-18-8-9/h7,9H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyVPORNUPOHLHYMD-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.38
Rot. Bonds5

About 5-fluoro-4-N-methyl-2-N-propyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine

5-fluoro-4-N-methyl-2-N-propyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine (PubChem CID 80783482) has the molecular formula C12H19FN4S and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-fluoro-4-N-methyl-2-N-propyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-methyl-2-N-propyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine
PubChem CID80783482
Molecular FormulaC12H19FN4S
Molecular Weight270.38 g/mol
Exact Mass270.13
IUPAC Name5-fluoro-4-N-methyl-2-N-propyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(N(C)C2CCSC2)n1
InChIInChI=1S/C12H19FN4S/c1-3-5-14-12-15-7-10(13)11(16-12)17(2)9-4-6-18-8-9/h7,9H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyVPORNUPOHLHYMD-UHFFFAOYSA-N
XLogP2.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80766794
4-N-(4,4-dimethylcyclohexyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80838986
5-fluoro-4-N-methyl-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80800040
5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80765312
4-N-(cyclohexylmethyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80799427
4-N-methyl-6-N,5-dipropyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 80784672
2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine
CID 80789928
4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80795202
5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80792326
5-fluoro-4-N-methyl-4-N-pentan-2-yl-2-N-propylpyrimidine-2,4-diamine
CID 80792483
1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80848537
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557000

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-methyl-2-N-propyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-methyl-2-N-propyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine (CID 80783482) is 5-fluoro-4-N-methyl-2-N-propyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-methyl-2-N-propyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-methyl-2-N-propyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine is CCCNc1ncc(F)c(N(C)C2CCSC2)n1.
What is the InChIKey of 5-fluoro-4-N-methyl-2-N-propyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine?
The InChIKey is VPORNUPOHLHYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4S/c1-3-5-14-12-15-7-10(13)11(16-12)17(2)9-4-6-18-8-9/h7,9H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of 5-fluoro-4-N-methyl-2-N-propyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine?
5-fluoro-4-N-methyl-2-N-propyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-methyl-2-N-propyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80783482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).