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

C10H15FN4S — CID 80783481

IUPAC5-fluoro-2-N,4-N-dimethyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(N(C)C2CCSC2)n1
InChIInChI=1S/C10H15FN4S/c1-12-10-13-5-8(11)9(14-10)15(2)7-3-4-16-6-7/h5,7H,3-4,6H2,1-2H3,(H,12,13,14)
InChIKeyRHBJGMOTODQFEH-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.60
Rot. Bonds3

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

5-fluoro-2-N,4-N-dimethyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine (PubChem CID 80783481) has the molecular formula C10H15FN4S and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-fluoro-2-N,4-N-dimethyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N,4-N-dimethyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine
PubChem CID80783481
Molecular FormulaC10H15FN4S
Molecular Weight242.32 g/mol
Exact Mass242.10
IUPAC Name5-fluoro-2-N,4-N-dimethyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(N(C)C2CCSC2)n1
InChIInChI=1S/C10H15FN4S/c1-12-10-13-5-8(11)9(14-10)15(2)7-3-4-16-6-7/h5,7H,3-4,6H2,1-2H3,(H,12,13,14)
InChIKeyRHBJGMOTODQFEH-UHFFFAOYSA-N
XLogP1.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N,4-N-dimethyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N,4-N-dimethyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine (CID 80783481) is 5-fluoro-2-N,4-N-dimethyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N,4-N-dimethyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N,4-N-dimethyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine is CNc1ncc(F)c(N(C)C2CCSC2)n1.
What is the InChIKey of 5-fluoro-2-N,4-N-dimethyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine?
The InChIKey is RHBJGMOTODQFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4S/c1-12-10-13-5-8(11)9(14-10)15(2)7-3-4-16-6-7/h5,7H,3-4,6H2,1-2H3,(H,12,13,14).
What are the key properties of 5-fluoro-2-N,4-N-dimethyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine?
5-fluoro-2-N,4-N-dimethyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine has a molecular weight of 242.32 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N,4-N-dimethyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80783481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).