2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethylpropanamide

C9H15N5OS — CID 60665444

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethylpropanamide
SMILESCCNC(=O)C(C)Sc1nc(N)cc(N)n1
InChIInChI=1S/C9H15N5OS/c1-3-12-8(15)5(2)16-9-13-6(10)4-7(11)14-9/h4-5H,3H2,1-2H3,(H,12,15)(H4,10,11,13,14)
InChIKeyHYPQTFBOUBJNCN-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.26
Rot. Bonds4

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethylpropanamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethylpropanamide (PubChem CID 60665444) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethylpropanamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethylpropanamide
PubChem CID60665444
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethylpropanamide
SMILESCCNC(=O)C(C)Sc1nc(N)cc(N)n1
InChIInChI=1S/C9H15N5OS/c1-3-12-8(15)5(2)16-9-13-6(10)4-7(11)14-9/h4-5H,3H2,1-2H3,(H,12,15)(H4,10,11,13,14)
InChIKeyHYPQTFBOUBJNCN-UHFFFAOYSA-N
XLogP0.26
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 60718365
2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanehydrazide
CID 63581279
ethyl 2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoate
CID 60589152
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropanamide
CID 47145388
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
CID 18201879
(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(2S)-butan-2-yl]propanamide
CID 37060825
2-(4-aminophenyl)sulfanyl-N-ethylpropanamide
CID 43299394
(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,6-dimethylphenyl)propanamide
CID 865761
4-[2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoylamino]benzoic acid
CID 23886491
2-(5-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide
CID 79133360
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 23743440
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 46583643

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethylpropanamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethylpropanamide (CID 60665444) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethylpropanamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethylpropanamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethylpropanamide is CCNC(=O)C(C)Sc1nc(N)cc(N)n1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethylpropanamide?
The InChIKey is HYPQTFBOUBJNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-3-12-8(15)5(2)16-9-13-6(10)4-7(11)14-9/h4-5H,3H2,1-2H3,(H,12,15)(H4,10,11,13,14).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethylpropanamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethylpropanamide has a molecular weight of 241.32 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethylpropanamide is sourced from PubChem (CID 60665444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).