2-N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine

C10H15FN4O2S — CID 164640661

IUPAC2-N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nc(N[C@H]2CCS(=O)(=O)C2)ncc1F
InChIInChI=1S/C10H15FN4O2S/c1-15(2)9-8(11)5-12-10(14-9)13-7-3-4-18(16,17)6-7/h5,7H,3-4,6H2,1-2H3,(H,12,13,14)/t7-/m0/s1
InChIKeyYLAMZZBHSFCWFG-ZETCQYMHSA-N
MW274.32 g/mol
LogP0.28
Rot. Bonds3

About 2-N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine

2-N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 164640661) has the molecular formula C10H15FN4O2S and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID164640661
Molecular FormulaC10H15FN4O2S
Molecular Weight274.32 g/mol
Exact Mass274.09
IUPAC Name2-N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nc(N[C@H]2CCS(=O)(=O)C2)ncc1F
InChIInChI=1S/C10H15FN4O2S/c1-15(2)9-8(11)5-12-10(14-9)13-7-3-4-18(16,17)6-7/h5,7H,3-4,6H2,1-2H3,(H,12,13,14)/t7-/m0/s1
InChIKeyYLAMZZBHSFCWFG-ZETCQYMHSA-N
XLogP0.28
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine (CID 164640661) is 2-N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine is CN(C)c1nc(N[C@H]2CCS(=O)(=O)C2)ncc1F.
What is the InChIKey of 2-N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is YLAMZZBHSFCWFG-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15FN4O2S/c1-15(2)9-8(11)5-12-10(14-9)13-7-3-4-18(16,17)6-7/h5,7H,3-4,6H2,1-2H3,(H,12,13,14)/t7-/m0/s1.
What are the key properties of 2-N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine?
2-N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 274.32 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 164640661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).