3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide

C10H15N5O2S — CID 47023814

IUPAC3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCSc1nc(C)cc(N)n1
InChIInChI=1S/C10H15N5O2S/c1-6-5-7(11)14-10(13-6)18-4-3-8(16)15-9(17)12-2/h5H,3-4H2,1-2H3,(H2,11,13,14)(H2,12,15,16,17)
InChIKeyBJBFCRLYJQBYSG-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.31
Rot. Bonds4

About 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide

3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide (PubChem CID 47023814) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
PubChem CID47023814
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Name3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCSc1nc(C)cc(N)n1
InChIInChI=1S/C10H15N5O2S/c1-6-5-7(11)14-10(13-6)18-4-3-8(16)15-9(17)12-2/h5H,3-4H2,1-2H3,(H2,11,13,14)(H2,12,15,16,17)
InChIKeyBJBFCRLYJQBYSG-UHFFFAOYSA-N
XLogP0.31
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide?
The IUPAC name of 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide (CID 47023814) is 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)CCSc1nc(C)cc(N)n1.
What is the InChIKey of 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide?
The InChIKey is BJBFCRLYJQBYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-6-5-7(11)14-10(13-6)18-4-3-8(16)15-9(17)12-2/h5H,3-4H2,1-2H3,(H2,11,13,14)(H2,12,15,16,17).
What are the key properties of 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide?
3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide has a molecular weight of 269.33 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 47023814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).