(2R)-2-amino-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfanylbutanamide

C12H20N4OS — CID 157012448

IUPAC(2R)-2-amino-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfanylbutanamide
SMILESCSC(C)(C)[C@H](N)C(=O)NCc1cnc(C)cn1
InChIInChI=1S/C12H20N4OS/c1-8-5-15-9(6-14-8)7-16-11(17)10(13)12(2,3)18-4/h5-6,10H,7,13H2,1-4H3,(H,16,17)/t10-/m1/s1
InChIKeyFKKFDOYHINMBHC-SNVBAGLBSA-N
MW268.39 g/mol
LogP0.87
Rot. Bonds5

About (2R)-2-amino-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfanylbutanamide

(2R)-2-amino-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfanylbutanamide (PubChem CID 157012448) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfanylbutanamide
PubChem CID157012448
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name(2R)-2-amino-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfanylbutanamide
SMILESCSC(C)(C)[C@H](N)C(=O)NCc1cnc(C)cn1
InChIInChI=1S/C12H20N4OS/c1-8-5-15-9(6-14-8)7-16-11(17)10(13)12(2,3)18-4/h5-6,10H,7,13H2,1-4H3,(H,16,17)/t10-/m1/s1
InChIKeyFKKFDOYHINMBHC-SNVBAGLBSA-N
XLogP0.87
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methylpyrazin-2-yl)methylurea
CID 62845946
2-amino-3-methoxy-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 81088885
2-amino-2-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 106312354
(3Z)-3-amino-3-hydroxyimino-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 55122485
(2R)-2-amino-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-methylsulfanylbutanamide;hydrochloride
CID 155972458
(2R)-2-amino-3-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylsulfanylbutanamide
CID 156586201
(2R)-2-amino-N-[(2-amino-3-pyridinyl)methyl]-3-methyl-3-methylsulfanylbutanamide;dihydrochloride
CID 163340578
ethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate
CID 64592018
2-(N'-hydroxycarbamimidoyl)-N-[(5-methylpyrazin-2-yl)methyl]butanamide
CID 76950601
2-[(2-methylpropan-2-yl)oxy]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 112605146
2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 55209197
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 76950592

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfanylbutanamide (CID 157012448) is (2R)-2-amino-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfanylbutanamide is CSC(C)(C)[C@H](N)C(=O)NCc1cnc(C)cn1.
What is the InChIKey of (2R)-2-amino-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfanylbutanamide?
The InChIKey is FKKFDOYHINMBHC-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-8-5-15-9(6-14-8)7-16-11(17)10(13)12(2,3)18-4/h5-6,10H,7,13H2,1-4H3,(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfanylbutanamide?
(2R)-2-amino-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfanylbutanamide has a molecular weight of 268.39 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfanylbutanamide is sourced from PubChem (CID 157012448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).