(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(2S)-butan-2-yl]propanamide

C12H20N4OS — CID 37060825

IUPAC(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(2S)-butan-2-yl]propanamide
SMILESCC[C@H](C)NC(=O)[C@@H](C)Sc1nc(C)cc(N)n1
InChIInChI=1S/C12H20N4OS/c1-5-7(2)14-11(17)9(4)18-12-15-8(3)6-10(13)16-12/h6-7,9H,5H2,1-4H3,(H,14,17)(H2,13,15,16)/t7-,9+/m0/s1
InChIKeyOWQNOQWPYOOADT-IONNQARKSA-N
MW268.39 g/mol
LogP1.76
Rot. Bonds5

About (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(2S)-butan-2-yl]propanamide

(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(2S)-butan-2-yl]propanamide (PubChem CID 37060825) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(2S)-butan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(2S)-butan-2-yl]propanamide
PubChem CID37060825
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(2S)-butan-2-yl]propanamide
SMILESCC[C@H](C)NC(=O)[C@@H](C)Sc1nc(C)cc(N)n1
InChIInChI=1S/C12H20N4OS/c1-5-7(2)14-11(17)9(4)18-12-15-8(3)6-10(13)16-12/h6-7,9H,5H2,1-4H3,(H,14,17)(H2,13,15,16)/t7-,9+/m0/s1
InChIKeyOWQNOQWPYOOADT-IONNQARKSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(2S)-butan-2-yl]propanamide?
The IUPAC name of (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(2S)-butan-2-yl]propanamide (CID 37060825) is (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(2S)-butan-2-yl]propanamide.
What is the SMILES notation for (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(2S)-butan-2-yl]propanamide?
The canonical SMILES for (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(2S)-butan-2-yl]propanamide is CC[C@H](C)NC(=O)[C@@H](C)Sc1nc(C)cc(N)n1.
What is the InChIKey of (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(2S)-butan-2-yl]propanamide?
The InChIKey is OWQNOQWPYOOADT-IONNQARKSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-5-7(2)14-11(17)9(4)18-12-15-8(3)6-10(13)16-12/h6-7,9H,5H2,1-4H3,(H,14,17)(H2,13,15,16)/t7-,9+/m0/s1.
What are the key properties of (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(2S)-butan-2-yl]propanamide?
(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(2S)-butan-2-yl]propanamide has a molecular weight of 268.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(2S)-butan-2-yl]propanamide is sourced from PubChem (CID 37060825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).