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

C11H15FN6S — CID 72919564

IUPAC5-fluoro-4-N,4-N-dimethyl-2-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1nnc(CCNc2ncc(F)c(N(C)C)n2)s1
InChIInChI=1S/C11H15FN6S/c1-7-16-17-9(19-7)4-5-13-11-14-6-8(12)10(15-11)18(2)3/h6H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyBKPJQMWZVRDUTJ-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.50
Rot. Bonds5

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

5-fluoro-4-N,4-N-dimethyl-2-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 72919564) has the molecular formula C11H15FN6S and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N,4-N-dimethyl-2-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID72919564
Molecular FormulaC11H15FN6S
Molecular Weight282.35 g/mol
Exact Mass282.11
IUPAC Name5-fluoro-4-N,4-N-dimethyl-2-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1nnc(CCNc2ncc(F)c(N(C)C)n2)s1
InChIInChI=1S/C11H15FN6S/c1-7-16-17-9(19-7)4-5-13-11-14-6-8(12)10(15-11)18(2)3/h6H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyBKPJQMWZVRDUTJ-UHFFFAOYSA-N
XLogP1.50
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrimidine-2,4-diamine (CID 72919564) is 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrimidine-2,4-diamine is Cc1nnc(CCNc2ncc(F)c(N(C)C)n2)s1.
What is the InChIKey of 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is BKPJQMWZVRDUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN6S/c1-7-16-17-9(19-7)4-5-13-11-14-6-8(12)10(15-11)18(2)3/h6H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
5-fluoro-4-N,4-N-dimethyl-2-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 282.35 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 72919564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).