N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidin-4-amine

C15H18FN3OS — CID 66066514

IUPACN-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1cc(COC)nc(CSc2ccc(F)cc2)n1
InChIInChI=1S/C15H18FN3OS/c1-3-17-14-8-12(9-20-2)18-15(19-14)10-21-13-6-4-11(16)5-7-13/h4-8H,3,9-10H2,1-2H3,(H,17,18,19)
InChIKeyNNJZGSGCNBAJJO-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.49
Rot. Bonds7

About N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidin-4-amine

N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 66066514) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID66066514
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC NameN-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1cc(COC)nc(CSc2ccc(F)cc2)n1
InChIInChI=1S/C15H18FN3OS/c1-3-17-14-8-12(9-20-2)18-15(19-14)10-21-13-6-4-11(16)5-7-13/h4-8H,3,9-10H2,1-2H3,(H,17,18,19)
InChIKeyNNJZGSGCNBAJJO-UHFFFAOYSA-N
XLogP3.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidin-4-amine (CID 66066514) is N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidin-4-amine is CCNc1cc(COC)nc(CSc2ccc(F)cc2)n1.
What is the InChIKey of N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is NNJZGSGCNBAJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c1-3-17-14-8-12(9-20-2)18-15(19-14)10-21-13-6-4-11(16)5-7-13/h4-8H,3,9-10H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidin-4-amine?
N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 307.39 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 66066514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).