5-fluoro-4-N,4-N-dimethyl-2-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine

C12H16FN5S — CID 72871873

IUPAC5-fluoro-4-N,4-N-dimethyl-2-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1ncsc1CCNc1ncc(F)c(N(C)C)n1
InChIInChI=1S/C12H16FN5S/c1-8-10(19-7-16-8)4-5-14-12-15-6-9(13)11(17-12)18(2)3/h6-7H,4-5H2,1-3H3,(H,14,15,17)
InChIKeyKXZQATAITWQFBZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.10
Rot. Bonds5

About 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine

5-fluoro-4-N,4-N-dimethyl-2-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 72871873) has the molecular formula C12H16FN5S and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N,4-N-dimethyl-2-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID72871873
Molecular FormulaC12H16FN5S
Molecular Weight281.36 g/mol
Exact Mass281.11
IUPAC Name5-fluoro-4-N,4-N-dimethyl-2-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1ncsc1CCNc1ncc(F)c(N(C)C)n1
InChIInChI=1S/C12H16FN5S/c1-8-10(19-7-16-8)4-5-14-12-15-6-9(13)11(17-12)18(2)3/h6-7H,4-5H2,1-3H3,(H,14,15,17)
InChIKeyKXZQATAITWQFBZ-UHFFFAOYSA-N
XLogP2.10
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine (CID 72871873) is 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine is Cc1ncsc1CCNc1ncc(F)c(N(C)C)n1.
What is the InChIKey of 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is KXZQATAITWQFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5S/c1-8-10(19-7-16-8)4-5-14-12-15-6-9(13)11(17-12)18(2)3/h6-7H,4-5H2,1-3H3,(H,14,15,17).
What are the key properties of 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine?
5-fluoro-4-N,4-N-dimethyl-2-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 281.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 72871873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).