2-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide

C16H18ClN5O2S — CID 42753911

IUPAC2-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CSc1nc(Cl)cc(N2CCOCC2)n1)NCc1ccccn1
InChIInChI=1S/C16H18ClN5O2S/c17-13-9-14(22-5-7-24-8-6-22)21-16(20-13)25-11-15(23)19-10-12-3-1-2-4-18-12/h1-4,9H,5-8,10-11H2,(H,19,23)
InChIKeyRLUNYJNSFQAAHO-UHFFFAOYSA-N
MW379.87 g/mol
LogP1.77
Rot. Bonds6

About 2-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide

2-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 42753911) has the molecular formula C16H18ClN5O2S and a molecular weight of 379.87 g/mol. Its IUPAC name is 2-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID42753911
Molecular FormulaC16H18ClN5O2S
Molecular Weight379.87 g/mol
Exact Mass379.09
IUPAC Name2-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CSc1nc(Cl)cc(N2CCOCC2)n1)NCc1ccccn1
InChIInChI=1S/C16H18ClN5O2S/c17-13-9-14(22-5-7-24-8-6-22)21-16(20-13)25-11-15(23)19-10-12-3-1-2-4-18-12/h1-4,9H,5-8,10-11H2,(H,19,23)
InChIKeyRLUNYJNSFQAAHO-UHFFFAOYSA-N
XLogP1.77
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 3960786
2-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 42764661
2-[4-chloro-6-[4-(2-fluorobenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 3345604
2-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 42753842
2-(2-morpholin-4-ylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999300
3-[[4-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-2-ylmethyl)benzamide
CID 42765075
2-[4-chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide
CID 4015112
2-[4-chloro-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide
CID 3889884
2-[4-chloro-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-morpholin-4-ylethyl)acetamide
CID 1055587
2-[4-chloro-6-(3-methyl-4-pentanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide
CID 5136054
2-[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 4612559
1-(4-acetylpiperazin-1-yl)-2-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylethanone
CID 42753909

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide (CID 42753911) is 2-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide is O=C(CSc1nc(Cl)cc(N2CCOCC2)n1)NCc1ccccn1.
What is the InChIKey of 2-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is RLUNYJNSFQAAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2S/c17-13-9-14(22-5-7-24-8-6-22)21-16(20-13)25-11-15(23)19-10-12-3-1-2-4-18-12/h1-4,9H,5-8,10-11H2,(H,19,23).
What are the key properties of 2-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
2-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 379.87 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 42753911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).