1-methylsulfonyl-1-propan-2-yl-3-(pyrimidin-2-ylcarbamoyl)urea

C10H15N5O4S — CID 2335573

IUPAC1-methylsulfonyl-1-propan-2-yl-3-(pyrimidin-2-ylcarbamoyl)urea
SMILESCC(C)N(C(=O)NC(=O)Nc1ncccn1)S(C)(=O)=O
InChIInChI=1S/C10H15N5O4S/c1-7(2)15(20(3,18)19)10(17)14-9(16)13-8-11-5-4-6-12-8/h4-7H,1-3H3,(H2,11,12,13,14,16,17)
InChIKeyOHXRATAPBULNTO-UHFFFAOYSA-N
MW301.33 g/mol
LogP0.39
Rot. Bonds3

About 1-methylsulfonyl-1-propan-2-yl-3-(pyrimidin-2-ylcarbamoyl)urea

1-methylsulfonyl-1-propan-2-yl-3-(pyrimidin-2-ylcarbamoyl)urea (PubChem CID 2335573) has the molecular formula C10H15N5O4S and a molecular weight of 301.33 g/mol. Its IUPAC name is 1-methylsulfonyl-1-propan-2-yl-3-(pyrimidin-2-ylcarbamoyl)urea.

Molecular Properties

Compound Name1-methylsulfonyl-1-propan-2-yl-3-(pyrimidin-2-ylcarbamoyl)urea
PubChem CID2335573
Molecular FormulaC10H15N5O4S
Molecular Weight301.33 g/mol
Exact Mass301.08
IUPAC Name1-methylsulfonyl-1-propan-2-yl-3-(pyrimidin-2-ylcarbamoyl)urea
SMILESCC(C)N(C(=O)NC(=O)Nc1ncccn1)S(C)(=O)=O
InChIInChI=1S/C10H15N5O4S/c1-7(2)15(20(3,18)19)10(17)14-9(16)13-8-11-5-4-6-12-8/h4-7H,1-3H3,(H2,11,12,13,14,16,17)
InChIKeyOHXRATAPBULNTO-UHFFFAOYSA-N
XLogP0.39
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-1-propan-2-yl-3-(pyrimidin-2-ylcarbamoyl)urea?
The IUPAC name of 1-methylsulfonyl-1-propan-2-yl-3-(pyrimidin-2-ylcarbamoyl)urea (CID 2335573) is 1-methylsulfonyl-1-propan-2-yl-3-(pyrimidin-2-ylcarbamoyl)urea.
What is the SMILES notation for 1-methylsulfonyl-1-propan-2-yl-3-(pyrimidin-2-ylcarbamoyl)urea?
The canonical SMILES for 1-methylsulfonyl-1-propan-2-yl-3-(pyrimidin-2-ylcarbamoyl)urea is CC(C)N(C(=O)NC(=O)Nc1ncccn1)S(C)(=O)=O.
What is the InChIKey of 1-methylsulfonyl-1-propan-2-yl-3-(pyrimidin-2-ylcarbamoyl)urea?
The InChIKey is OHXRATAPBULNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4S/c1-7(2)15(20(3,18)19)10(17)14-9(16)13-8-11-5-4-6-12-8/h4-7H,1-3H3,(H2,11,12,13,14,16,17).
What are the key properties of 1-methylsulfonyl-1-propan-2-yl-3-(pyrimidin-2-ylcarbamoyl)urea?
1-methylsulfonyl-1-propan-2-yl-3-(pyrimidin-2-ylcarbamoyl)urea has a molecular weight of 301.33 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-1-propan-2-yl-3-(pyrimidin-2-ylcarbamoyl)urea is sourced from PubChem (CID 2335573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).