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

C11H14N4OS — CID 78842511

IUPAC4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCCc2csc(C)n2)n1
InChIInChI=1S/C11H14N4OS/c1-8-14-9(7-17-8)3-5-12-11-13-6-4-10(15-11)16-2/h4,6-7H,3,5H2,1-2H3,(H,12,13,15)
InChIKeyFIKAEFLIIBQRBF-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.90
Rot. Bonds5

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

4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine (PubChem CID 78842511) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine
PubChem CID78842511
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCCc2csc(C)n2)n1
InChIInChI=1S/C11H14N4OS/c1-8-14-9(7-17-8)3-5-12-11-13-6-4-10(15-11)16-2/h4,6-7H,3,5H2,1-2H3,(H,12,13,15)
InChIKeyFIKAEFLIIBQRBF-UHFFFAOYSA-N
XLogP1.90
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine (CID 78842511) is 4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine is COc1ccnc(NCCc2csc(C)n2)n1.
What is the InChIKey of 4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
The InChIKey is FIKAEFLIIBQRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-8-14-9(7-17-8)3-5-12-11-13-6-4-10(15-11)16-2/h4,6-7H,3,5H2,1-2H3,(H,12,13,15).
What are the key properties of 4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine has a molecular weight of 250.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 78842511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).