(4-amino-2-methylsulfanylpyrimidin-5-yl)-(2-ethyl-5-fluorophenyl)methanone

C14H14FN3OS — CID 21070610

IUPAC(4-amino-2-methylsulfanylpyrimidin-5-yl)-(2-ethyl-5-fluorophenyl)methanone
SMILESCCc1ccc(F)cc1C(=O)c1cnc(SC)nc1N
InChIInChI=1S/C14H14FN3OS/c1-3-8-4-5-9(15)6-10(8)12(19)11-7-17-14(20-2)18-13(11)16/h4-7H,3H2,1-2H3,(H2,16,17,18)
InChIKeyMVLFDMVYQJWKTG-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.71
Rot. Bonds4

About (4-amino-2-methylsulfanylpyrimidin-5-yl)-(2-ethyl-5-fluorophenyl)methanone

(4-amino-2-methylsulfanylpyrimidin-5-yl)-(2-ethyl-5-fluorophenyl)methanone (PubChem CID 21070610) has the molecular formula C14H14FN3OS and a molecular weight of 291.35 g/mol. Its IUPAC name is (4-amino-2-methylsulfanylpyrimidin-5-yl)-(2-ethyl-5-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-amino-2-methylsulfanylpyrimidin-5-yl)-(2-ethyl-5-fluorophenyl)methanone
PubChem CID21070610
Molecular FormulaC14H14FN3OS
Molecular Weight291.35 g/mol
Exact Mass291.08
IUPAC Name(4-amino-2-methylsulfanylpyrimidin-5-yl)-(2-ethyl-5-fluorophenyl)methanone
SMILESCCc1ccc(F)cc1C(=O)c1cnc(SC)nc1N
InChIInChI=1S/C14H14FN3OS/c1-3-8-4-5-9(15)6-10(8)12(19)11-7-17-14(20-2)18-13(11)16/h4-7H,3H2,1-2H3,(H2,16,17,18)
InChIKeyMVLFDMVYQJWKTG-UHFFFAOYSA-N
XLogP2.71
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(5-fluoro-2-methoxyphenyl)methanone
CID 11722738
(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(3-fluorophenyl)methanone
CID 11974833
(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(5-fluoro-2-methylphenyl)methanone;(4-amino-2-ethylsulfinylpyrimidin-5-yl)-(5-fluoro-2-methylphenyl)methanone
CID 159907132
4-ethyl-N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 20913801
prop-2-enyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate
CID 142786186
2-amino-1-(2-ethyl-5-fluorophenyl)ethanone
CID 84768395
ethyl 4-(3-fluorobenzoyl)-2-methylsulfanylpyrimidine-5-carboxylate
CID 71224238
(4-amino-2-ethylsulfinylpyrimidin-5-yl)-(5-fluoro-2-propan-2-yloxyphenyl)methanone
CID 21070600
4-amino-2-ethylsulfanyl-N-methoxy-N-methylpyrimidine-5-carboxamide;(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(5-fluoro-2-propan-2-yloxyphenyl)methanone;2-bromo-4-fluoro-1-propan-2-yloxybenzene
CID 158549475
4-amino-2-ethylsulfanyl-N-methoxy-N-methylpyrimidine-5-carboxamide;(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(5-fluoro-2-propan-2-yloxyphenyl)methanone;2-bromo-4-fluoro-1-propan-2-yloxybenzene;methane
CID 159640962
4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid;N-methoxymethanamine
CID 172808365
lithium;4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid;ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate;hydroperoxyethane;hydroxide
CID 161067921

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylsulfanylpyrimidin-5-yl)-(2-ethyl-5-fluorophenyl)methanone?
The IUPAC name of (4-amino-2-methylsulfanylpyrimidin-5-yl)-(2-ethyl-5-fluorophenyl)methanone (CID 21070610) is (4-amino-2-methylsulfanylpyrimidin-5-yl)-(2-ethyl-5-fluorophenyl)methanone.
What is the SMILES notation for (4-amino-2-methylsulfanylpyrimidin-5-yl)-(2-ethyl-5-fluorophenyl)methanone?
The canonical SMILES for (4-amino-2-methylsulfanylpyrimidin-5-yl)-(2-ethyl-5-fluorophenyl)methanone is CCc1ccc(F)cc1C(=O)c1cnc(SC)nc1N.
What is the InChIKey of (4-amino-2-methylsulfanylpyrimidin-5-yl)-(2-ethyl-5-fluorophenyl)methanone?
The InChIKey is MVLFDMVYQJWKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3OS/c1-3-8-4-5-9(15)6-10(8)12(19)11-7-17-14(20-2)18-13(11)16/h4-7H,3H2,1-2H3,(H2,16,17,18).
What are the key properties of (4-amino-2-methylsulfanylpyrimidin-5-yl)-(2-ethyl-5-fluorophenyl)methanone?
(4-amino-2-methylsulfanylpyrimidin-5-yl)-(2-ethyl-5-fluorophenyl)methanone has a molecular weight of 291.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylsulfanylpyrimidin-5-yl)-(2-ethyl-5-fluorophenyl)methanone is sourced from PubChem (CID 21070610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).