N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine

C13H14FN3S — CID 66070463

IUPACN-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
SMILESCCNc1ccnc(CSc2cccc(F)c2)n1
InChIInChI=1S/C13H14FN3S/c1-2-15-12-6-7-16-13(17-12)9-18-11-5-3-4-10(14)8-11/h3-8H,2,9H2,1H3,(H,15,16,17)
InChIKeyQRVTWWVAROHGRW-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.34
Rot. Bonds5

About N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine

N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine (PubChem CID 66070463) has the molecular formula C13H14FN3S and a molecular weight of 263.34 g/mol. Its IUPAC name is N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
PubChem CID66070463
Molecular FormulaC13H14FN3S
Molecular Weight263.34 g/mol
Exact Mass263.09
IUPAC NameN-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
SMILESCCNc1ccnc(CSc2cccc(F)c2)n1
InChIInChI=1S/C13H14FN3S/c1-2-15-12-6-7-16-13(17-12)9-18-11-5-3-4-10(14)8-11/h3-8H,2,9H2,1H3,(H,15,16,17)
InChIKeyQRVTWWVAROHGRW-UHFFFAOYSA-N
XLogP3.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66304099
N-ethyl-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66051754
2-[(4-chlorophenyl)sulfanylmethyl]-N-ethylpyrimidin-4-amine
CID 66144588
N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]-5,6-dimethylpyrimidin-4-amine
CID 66070669
4-(dimethoxymethyl)-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidine
CID 115531625
N-ethyl-6-(3-fluorophenyl)sulfanylpyridin-2-amine
CID 80890333
2-[(2-chlorophenyl)sulfanylmethyl]-N-ethylpyrimidin-4-amine
CID 66154099
[6-tert-butyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
CID 66072321
N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 65128593
N-ethyl-1-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 66073373
4,6-dichloro-2-[(3-fluorophenyl)sulfanylmethyl]-5-methylpyrimidine
CID 66073080
2-[(3-fluorophenyl)sulfanylmethyl]-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 66070670

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine (CID 66070463) is N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine is CCNc1ccnc(CSc2cccc(F)c2)n1.
What is the InChIKey of N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine?
The InChIKey is QRVTWWVAROHGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3S/c1-2-15-12-6-7-16-13(17-12)9-18-11-5-3-4-10(14)8-11/h3-8H,2,9H2,1H3,(H,15,16,17).
What are the key properties of N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine?
N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine is sourced from PubChem (CID 66070463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).