N-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]acetamide

C12H18N4OS — CID 99956372

IUPACN-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]acetamide
SMILESCSc1ncc(CN2CC[C@@H](NC(C)=O)C2)cn1
InChIInChI=1S/C12H18N4OS/c1-9(17)15-11-3-4-16(8-11)7-10-5-13-12(18-2)14-6-10/h5-6,11H,3-4,7-8H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyIWEHMGMZTGYDMO-LLVKDONJSA-N
MW266.37 g/mol
LogP0.91
Rot. Bonds4

About N-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]acetamide

N-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]acetamide (PubChem CID 99956372) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]acetamide
PubChem CID99956372
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC NameN-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]acetamide
SMILESCSc1ncc(CN2CC[C@@H](NC(C)=O)C2)cn1
InChIInChI=1S/C12H18N4OS/c1-9(17)15-11-3-4-16(8-11)7-10-5-13-12(18-2)14-6-10/h5-6,11H,3-4,7-8H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyIWEHMGMZTGYDMO-LLVKDONJSA-N
XLogP0.91
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]acetamide
CID 77097348
N-[1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide
CID 113402639
N-[1-[[4-[5-(methylsulfonylmethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 170508722
4-[(3-acetamidopyrrolidin-1-yl)methyl]-2-fluorobenzoic acid
CID 106699396
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-[(3R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]acetamide
CID 99954574
3-[(3-acetamidopyrrolidin-1-yl)methyl]benzoic acid
CID 113402458
N-[1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide
CID 77091960
N-[1-(2-oxopropyl)pyrrolidin-3-yl]acetamide
CID 58937983
N-[(3S)-1-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 94801163
2-(dimethylamino)-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]acetamide
CID 53185239
2-[(2S)-1-(1-methylpiperidin-4-yl)-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol
CID 29026763

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]acetamide (CID 99956372) is N-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]acetamide is CSc1ncc(CN2CC[C@@H](NC(C)=O)C2)cn1.
What is the InChIKey of N-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is IWEHMGMZTGYDMO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-9(17)15-11-3-4-16(8-11)7-10-5-13-12(18-2)14-6-10/h5-6,11H,3-4,7-8H2,1-2H3,(H,15,17)/t11-/m1/s1.
What are the key properties of N-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]acetamide?
N-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 266.37 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 99956372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).