2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N,N-diethylacetamide

C11H18N4OS — CID 114235096

IUPAC2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1cc(C)nc(N)n1
InChIInChI=1S/C11H18N4OS/c1-4-15(5-2)10(16)7-17-9-6-8(3)13-11(12)14-9/h6H,4-5,7H2,1-3H3,(H2,12,13,14)
InChIKeyYNZYTTPFWRWMTI-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.33
Rot. Bonds5

About 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N,N-diethylacetamide

2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N,N-diethylacetamide (PubChem CID 114235096) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N,N-diethylacetamide
PubChem CID114235096
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1cc(C)nc(N)n1
InChIInChI=1S/C11H18N4OS/c1-4-15(5-2)10(16)7-17-9-6-8(3)13-11(12)14-9/h6H,4-5,7H2,1-3H3,(H2,12,13,14)
InChIKeyYNZYTTPFWRWMTI-UHFFFAOYSA-N
XLogP1.33
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate
CID 742811
2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide;hydrochloride
CID 117068723
2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N,N-diethylacetamide
CID 1434092
3-[(2-amino-6-methylpyrimidin-4-yl)amino]-N,N-diethylpropanamide
CID 113224877
5-amino-2-[2-(diethylamino)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid
CID 114234240
CID 158509042
CID 158509042
2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-[3-[(2-amino-6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2,4-triazol-4-yl]acetamide
CID 138374054
methyl 3-(2-amino-6-methylpyrimidin-4-yl)sulfanylpropanoate
CID 112724335
2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-diethylacetamide
CID 114235242
2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-(2-phenylethyl)acetamide
CID 22768951
4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine
CID 130157001
ethyl 2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanylacetate
CID 80922929

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N,N-diethylacetamide?
The IUPAC name of 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N,N-diethylacetamide (CID 114235096) is 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N,N-diethylacetamide.
What is the SMILES notation for 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N,N-diethylacetamide?
The canonical SMILES for 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N,N-diethylacetamide is CCN(CC)C(=O)CSc1cc(C)nc(N)n1.
What is the InChIKey of 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N,N-diethylacetamide?
The InChIKey is YNZYTTPFWRWMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-4-15(5-2)10(16)7-17-9-6-8(3)13-11(12)14-9/h6H,4-5,7H2,1-3H3,(H2,12,13,14).
What are the key properties of 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N,N-diethylacetamide?
2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N,N-diethylacetamide has a molecular weight of 254.36 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N,N-diethylacetamide is sourced from PubChem (CID 114235096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).