2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide

C11H16N4OS — CID 63918876

IUPAC2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide
SMILESCc1cnc(SCC(N)(C(N)=O)C2CC2)nc1
InChIInChI=1S/C11H16N4OS/c1-7-4-14-10(15-5-7)17-6-11(13,9(12)16)8-2-3-8/h4-5,8H,2-3,6,13H2,1H3,(H2,12,16)
InChIKeyHFKOTQIHLQQUIN-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.47
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide

2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide (PubChem CID 63918876) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide
PubChem CID63918876
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide
SMILESCc1cnc(SCC(N)(C(N)=O)C2CC2)nc1
InChIInChI=1S/C11H16N4OS/c1-7-4-14-10(15-5-7)17-6-11(13,9(12)16)8-2-3-8/h4-5,8H,2-3,6,13H2,1H3,(H2,12,16)
InChIKeyHFKOTQIHLQQUIN-UHFFFAOYSA-N
XLogP0.47
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-cyclopropyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 63920649
2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol
CID 64819233
2-amino-2-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide
CID 63917847
2-amino-2-cyclopropyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 63919066
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(5-methylpyrimidin-2-yl)sulfanylpropanoate
CID 63919069
2-amino-2-cyclopropyl-3-pyridin-2-ylsulfanylpropanamide
CID 63917691
2-amino-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide
CID 63918686
2-amino-2-cyclopropyl-3-quinazolin-4-ylsulfanylpropanamide
CID 63919256
2-amino-3-(2-chlorophenyl)sulfanyl-2-cyclopropylpropanamide
CID 63917294
3-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pentan-3-ol
CID 115919561
2-amino-2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)propanamide
CID 63918935
methyl 2-amino-2-cyclopropyl-3-(4-methylphenyl)sulfanylpropanoate
CID 63917659

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide?
The IUPAC name of 2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide (CID 63918876) is 2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide is Cc1cnc(SCC(N)(C(N)=O)C2CC2)nc1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide?
The InChIKey is HFKOTQIHLQQUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-7-4-14-10(15-5-7)17-6-11(13,9(12)16)8-2-3-8/h4-5,8H,2-3,6,13H2,1H3,(H2,12,16).
What are the key properties of 2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide?
2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide has a molecular weight of 252.34 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 63918876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).