2-(tert-butylamino)-4-[(S)-methylsulfinyl]pyrimidine-5-carboxamide

C10H16N4O2S — CID 129387444

IUPAC2-(tert-butylamino)-4-[(S)-methylsulfinyl]pyrimidine-5-carboxamide
SMILESC[S@](=O)c1nc(NC(C)(C)C)ncc1C(N)=O
InChIInChI=1S/C10H16N4O2S/c1-10(2,3)14-9-12-5-6(7(11)15)8(13-9)17(4)16/h5H,1-4H3,(H2,11,15)(H,12,13,14)/t17-/m0/s1
InChIKeyFMNZWCJBVSFSOG-KRWDZBQOSA-N
MW256.33 g/mol
LogP0.52
Rot. Bonds3

About 2-(tert-butylamino)-4-[(S)-methylsulfinyl]pyrimidine-5-carboxamide

2-(tert-butylamino)-4-[(S)-methylsulfinyl]pyrimidine-5-carboxamide (PubChem CID 129387444) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(tert-butylamino)-4-[(S)-methylsulfinyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(tert-butylamino)-4-[(S)-methylsulfinyl]pyrimidine-5-carboxamide
PubChem CID129387444
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name2-(tert-butylamino)-4-[(S)-methylsulfinyl]pyrimidine-5-carboxamide
SMILESC[S@](=O)c1nc(NC(C)(C)C)ncc1C(N)=O
InChIInChI=1S/C10H16N4O2S/c1-10(2,3)14-9-12-5-6(7(11)15)8(13-9)17(4)16/h5H,1-4H3,(H2,11,15)(H,12,13,14)/t17-/m0/s1
InChIKeyFMNZWCJBVSFSOG-KRWDZBQOSA-N
XLogP0.52
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-4-[(S)-methylsulfinyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(tert-butylamino)-4-[(S)-methylsulfinyl]pyrimidine-5-carboxamide (CID 129387444) is 2-(tert-butylamino)-4-[(S)-methylsulfinyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(tert-butylamino)-4-[(S)-methylsulfinyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(tert-butylamino)-4-[(S)-methylsulfinyl]pyrimidine-5-carboxamide is C[S@](=O)c1nc(NC(C)(C)C)ncc1C(N)=O.
What is the InChIKey of 2-(tert-butylamino)-4-[(S)-methylsulfinyl]pyrimidine-5-carboxamide?
The InChIKey is FMNZWCJBVSFSOG-KRWDZBQOSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-10(2,3)14-9-12-5-6(7(11)15)8(13-9)17(4)16/h5H,1-4H3,(H2,11,15)(H,12,13,14)/t17-/m0/s1.
What are the key properties of 2-(tert-butylamino)-4-[(S)-methylsulfinyl]pyrimidine-5-carboxamide?
2-(tert-butylamino)-4-[(S)-methylsulfinyl]pyrimidine-5-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-4-[(S)-methylsulfinyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 129387444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).