2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide

C16H18ClFN4OS — CID 42754057

IUPAC2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCCCN(C)c1cc(Cl)nc(SCC(=O)Nc2ccccc2F)n1
InChIInChI=1S/C16H18ClFN4OS/c1-3-8-22(2)14-9-13(17)20-16(21-14)24-10-15(23)19-12-7-5-4-6-11(12)18/h4-7,9H,3,8,10H2,1-2H3,(H,19,23)
InChIKeyPASNXPUSONCWCG-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.85
Rot. Bonds7

About 2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide

2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide (PubChem CID 42754057) has the molecular formula C16H18ClFN4OS and a molecular weight of 368.87 g/mol. Its IUPAC name is 2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide
PubChem CID42754057
Molecular FormulaC16H18ClFN4OS
Molecular Weight368.87 g/mol
Exact Mass368.09
IUPAC Name2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCCCN(C)c1cc(Cl)nc(SCC(=O)Nc2ccccc2F)n1
InChIInChI=1S/C16H18ClFN4OS/c1-3-8-22(2)14-9-13(17)20-16(21-14)24-10-15(23)19-12-7-5-4-6-11(12)18/h4-7,9H,3,8,10H2,1-2H3,(H,19,23)
InChIKeyPASNXPUSONCWCG-UHFFFAOYSA-N
XLogP3.85
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[benzyl(methyl)amino]-6-chloropyrimidin-2-yl]sulfanyl-N-pentylacetamide
CID 5099411
2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-morpholin-4-ylethyl)acetamide
CID 5202723
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 40663166
4-[[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(3,3-diphenylpropyl)benzamide
CID 3466791
N-(2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 17052733
2-[4-chloro-6-[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide
CID 4297192
4-[[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 7236869
N-(2-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591754
N-(2-fluorophenyl)-N',N'-dipropylpropanediamide
CID 108952439
2-(4,6-dioxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 4556144
2-[[2-(2-fluoroanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008384
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 4805262

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide (CID 42754057) is 2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide is CCCN(C)c1cc(Cl)nc(SCC(=O)Nc2ccccc2F)n1.
What is the InChIKey of 2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
The InChIKey is PASNXPUSONCWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN4OS/c1-3-8-22(2)14-9-13(17)20-16(21-14)24-10-15(23)19-12-7-5-4-6-11(12)18/h4-7,9H,3,8,10H2,1-2H3,(H,19,23).
What are the key properties of 2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide has a molecular weight of 368.87 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 42754057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).