N-[2-chloro-4-(diethylamino)-6-methylsulfanylpyrimidin-5-yl]acetamide

C11H17ClN4OS — CID 88767578

IUPACN-[2-chloro-4-(diethylamino)-6-methylsulfanylpyrimidin-5-yl]acetamide
SMILESCCN(CC)c1nc(Cl)nc(SC)c1NC(C)=O
InChIInChI=1S/C11H17ClN4OS/c1-5-16(6-2)9-8(13-7(3)17)10(18-4)15-11(12)14-9/h5-6H2,1-4H3,(H,13,17)
InChIKeyYPXWPNGIBCMAGW-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.66
Rot. Bonds5

About N-[2-chloro-4-(diethylamino)-6-methylsulfanylpyrimidin-5-yl]acetamide

N-[2-chloro-4-(diethylamino)-6-methylsulfanylpyrimidin-5-yl]acetamide (PubChem CID 88767578) has the molecular formula C11H17ClN4OS and a molecular weight of 288.80 g/mol. Its IUPAC name is N-[2-chloro-4-(diethylamino)-6-methylsulfanylpyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(diethylamino)-6-methylsulfanylpyrimidin-5-yl]acetamide
PubChem CID88767578
Molecular FormulaC11H17ClN4OS
Molecular Weight288.80 g/mol
Exact Mass288.08
IUPAC NameN-[2-chloro-4-(diethylamino)-6-methylsulfanylpyrimidin-5-yl]acetamide
SMILESCCN(CC)c1nc(Cl)nc(SC)c1NC(C)=O
InChIInChI=1S/C11H17ClN4OS/c1-5-16(6-2)9-8(13-7(3)17)10(18-4)15-11(12)14-9/h5-6H2,1-4H3,(H,13,17)
InChIKeyYPXWPNGIBCMAGW-UHFFFAOYSA-N
XLogP2.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(diethylamino)-6-methylsulfanylpyrimidin-5-yl]acetamide?
The IUPAC name of N-[2-chloro-4-(diethylamino)-6-methylsulfanylpyrimidin-5-yl]acetamide (CID 88767578) is N-[2-chloro-4-(diethylamino)-6-methylsulfanylpyrimidin-5-yl]acetamide.
What is the SMILES notation for N-[2-chloro-4-(diethylamino)-6-methylsulfanylpyrimidin-5-yl]acetamide?
The canonical SMILES for N-[2-chloro-4-(diethylamino)-6-methylsulfanylpyrimidin-5-yl]acetamide is CCN(CC)c1nc(Cl)nc(SC)c1NC(C)=O.
What is the InChIKey of N-[2-chloro-4-(diethylamino)-6-methylsulfanylpyrimidin-5-yl]acetamide?
The InChIKey is YPXWPNGIBCMAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4OS/c1-5-16(6-2)9-8(13-7(3)17)10(18-4)15-11(12)14-9/h5-6H2,1-4H3,(H,13,17).
What are the key properties of N-[2-chloro-4-(diethylamino)-6-methylsulfanylpyrimidin-5-yl]acetamide?
N-[2-chloro-4-(diethylamino)-6-methylsulfanylpyrimidin-5-yl]acetamide has a molecular weight of 288.80 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(diethylamino)-6-methylsulfanylpyrimidin-5-yl]acetamide is sourced from PubChem (CID 88767578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).