N-ethyl-5-fluoro-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine

C12H15FN4S — CID 66000196

IUPACN-ethyl-5-fluoro-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
SMILESCCNc1nc(Cc2csc(C)n2)nc(C)c1F
InChIInChI=1S/C12H15FN4S/c1-4-14-12-11(13)7(2)15-10(17-12)5-9-6-18-8(3)16-9/h6H,4-5H2,1-3H3,(H,14,15,17)
InChIKeyHUJLPKCEPYOCSA-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.71
Rot. Bonds4

About N-ethyl-5-fluoro-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine

N-ethyl-5-fluoro-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 66000196) has the molecular formula C12H15FN4S and a molecular weight of 266.34 g/mol. Its IUPAC name is N-ethyl-5-fluoro-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID66000196
Molecular FormulaC12H15FN4S
Molecular Weight266.34 g/mol
Exact Mass266.10
IUPAC NameN-ethyl-5-fluoro-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
SMILESCCNc1nc(Cc2csc(C)n2)nc(C)c1F
InChIInChI=1S/C12H15FN4S/c1-4-14-12-11(13)7(2)15-10(17-12)5-9-6-18-8(3)16-9/h6H,4-5H2,1-3H3,(H,14,15,17)
InChIKeyHUJLPKCEPYOCSA-UHFFFAOYSA-N
XLogP2.71
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-fluoro-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine (CID 66000196) is N-ethyl-5-fluoro-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-fluoro-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-fluoro-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine is CCNc1nc(Cc2csc(C)n2)nc(C)c1F.
What is the InChIKey of N-ethyl-5-fluoro-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is HUJLPKCEPYOCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4S/c1-4-14-12-11(13)7(2)15-10(17-12)5-9-6-18-8(3)16-9/h6H,4-5H2,1-3H3,(H,14,15,17).
What are the key properties of N-ethyl-5-fluoro-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
N-ethyl-5-fluoro-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 266.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 66000196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).