N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine

C14H17FN4OS — CID 136571636

IUPACN-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCCc2nc3c(s2)COCC3)c1F
InChIInChI=1S/C14H17FN4OS/c1-2-9-13(15)14(18-8-17-9)16-5-3-12-19-10-4-6-20-7-11(10)21-12/h8H,2-7H2,1H3,(H,16,17,18)
InChIKeyGYJXXNVBXQZWLJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.36
Rot. Bonds5

About N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine

N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 136571636) has the molecular formula C14H17FN4OS and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID136571636
Molecular FormulaC14H17FN4OS
Molecular Weight308.38 g/mol
Exact Mass308.11
IUPAC NameN-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCCc2nc3c(s2)COCC3)c1F
InChIInChI=1S/C14H17FN4OS/c1-2-9-13(15)14(18-8-17-9)16-5-3-12-19-10-4-6-20-7-11(10)21-12/h8H,2-7H2,1H3,(H,16,17,18)
InChIKeyGYJXXNVBXQZWLJ-UHFFFAOYSA-N
XLogP2.36
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine (CID 136571636) is N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine is CCc1ncnc(NCCc2nc3c(s2)COCC3)c1F.
What is the InChIKey of N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is GYJXXNVBXQZWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4OS/c1-2-9-13(15)14(18-8-17-9)16-5-3-12-19-10-4-6-20-7-11(10)21-12/h8H,2-7H2,1H3,(H,16,17,18).
What are the key properties of N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 308.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 136571636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).