N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-fluoropyrimidin-2-amine

C11H13FN4S — CID 113286044

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-fluoropyrimidin-2-amine
SMILESCc1nc(C)c(C(C)Nc2ncc(F)cn2)s1
InChIInChI=1S/C11H13FN4S/c1-6-10(17-8(3)15-6)7(2)16-11-13-4-9(12)5-14-11/h4-5,7H,1-3H3,(H,13,14,16)
InChIKeyMBTALAIEUKFFSY-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.86
Rot. Bonds3

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-fluoropyrimidin-2-amine

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-fluoropyrimidin-2-amine (PubChem CID 113286044) has the molecular formula C11H13FN4S and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-fluoropyrimidin-2-amine
PubChem CID113286044
Molecular FormulaC11H13FN4S
Molecular Weight252.32 g/mol
Exact Mass252.08
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-fluoropyrimidin-2-amine
SMILESCc1nc(C)c(C(C)Nc2ncc(F)cn2)s1
InChIInChI=1S/C11H13FN4S/c1-6-10(17-8(3)15-6)7(2)16-11-13-4-9(12)5-14-11/h4-5,7H,1-3H3,(H,13,14,16)
InChIKeyMBTALAIEUKFFSY-UHFFFAOYSA-N
XLogP2.86
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-fluoropyrimidin-2-amine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-fluoropyrimidin-2-amine (CID 113286044) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-fluoropyrimidin-2-amine is Cc1nc(C)c(C(C)Nc2ncc(F)cn2)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-fluoropyrimidin-2-amine?
The InChIKey is MBTALAIEUKFFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4S/c1-6-10(17-8(3)15-6)7(2)16-11-13-4-9(12)5-14-11/h4-5,7H,1-3H3,(H,13,14,16).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-fluoropyrimidin-2-amine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-fluoropyrimidin-2-amine has a molecular weight of 252.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 113286044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).