4,6-dimethylpyrimidin-2-amine;1-(4,6-dimethylpyrimidin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;phenyl N-(4,6-dimethylpyrimidin-2-yl)carbamate;1-propan-2-ylpyrazole-3-sulfonamide

C38H51N15O7S2 — CID 159357622

IUPAC4,6-dimethylpyrimidin-2-amine;1-(4,6-dimethylpyrimidin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;phenyl N-(4,6-dimethylpyrimidin-2-yl)carbamate;1-propan-2-ylpyrazole-3-sulfonamide
SMILESCC(C)n1ccc(S(N)(=O)=O)n1.Cc1cc(C)nc(N)n1.Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)n1.Cc1cc(C)nc(NC(=O)Oc2ccccc2)n1
InChIInChI=1S/C13H18N6O3S.C13H13N3O2.C6H11N3O2S.C6H9N3/c1-8(2)19-6-5-11(17-19)23(21,22)18-13(20)16-12-14-9(3)7-10(4)15-12;1-9-8-10(2)15-12(14-9)16-13(17)18-11-6-4-3-5-7-11;1-5(2)9-4-3-6(8-9)12(7,10)11;1-4-3-5(2)9-6(7)8-4/h5-8H,1-4H3,(H2,14,15,16,18,20);3-8H,1-2H3,(H,14,15,16,17);3-5H,1-2H3,(H2,7,10,11);3H,1-2H3,(H2,7,8,9)
InChIKeyLICWVHAJKZSIDH-UHFFFAOYSA-N
MW894.06 g/mol
LogP4.87
Rot. Bonds8

About 4,6-dimethylpyrimidin-2-amine;1-(4,6-dimethylpyrimidin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;phenyl N-(4,6-dimethylpyrimidin-2-yl)carbamate;1-propan-2-ylpyrazole-3-sulfonamide

4,6-dimethylpyrimidin-2-amine;1-(4,6-dimethylpyrimidin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;phenyl N-(4,6-dimethylpyrimidin-2-yl)carbamate;1-propan-2-ylpyrazole-3-sulfonamide (PubChem CID 159357622) has the molecular formula C38H51N15O7S2 and a molecular weight of 894.06 g/mol. Its IUPAC name is 4,6-dimethylpyrimidin-2-amine;1-(4,6-dimethylpyrimidin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;phenyl N-(4,6-dimethylpyrimidin-2-yl)carbamate;1-propan-2-ylpyrazole-3-sulfonamide.

Molecular Properties

Compound Name4,6-dimethylpyrimidin-2-amine;1-(4,6-dimethylpyrimidin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;phenyl N-(4,6-dimethylpyrimidin-2-yl)carbamate;1-propan-2-ylpyrazole-3-sulfonamide
PubChem CID159357622
Molecular FormulaC38H51N15O7S2
Molecular Weight894.06 g/mol
Exact Mass893.35
IUPAC Name4,6-dimethylpyrimidin-2-amine;1-(4,6-dimethylpyrimidin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;phenyl N-(4,6-dimethylpyrimidin-2-yl)carbamate;1-propan-2-ylpyrazole-3-sulfonamide
SMILESCC(C)n1ccc(S(N)(=O)=O)n1.Cc1cc(C)nc(N)n1.Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)n1.Cc1cc(C)nc(NC(=O)Oc2ccccc2)n1
InChIInChI=1S/C13H18N6O3S.C13H13N3O2.C6H11N3O2S.C6H9N3/c1-8(2)19-6-5-11(17-19)23(21,22)18-13(20)16-12-14-9(3)7-10(4)15-12;1-9-8-10(2)15-12(14-9)16-13(17)18-11-6-4-3-5-7-11;1-5(2)9-4-3-6(8-9)12(7,10)11;1-4-3-5(2)9-6(7)8-4/h5-8H,1-4H3,(H2,14,15,16,18,20);3-8H,1-2H3,(H,14,15,16,17);3-5H,1-2H3,(H2,7,10,11);3H,1-2H3,(H2,7,8,9)
InChIKeyLICWVHAJKZSIDH-UHFFFAOYSA-N
XLogP4.87
TPSA312.76 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.06
LogP ≤ 54.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 4,6-dimethylpyrimidin-2-amine;1-(4,6-dimethylpyrimidin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;phenyl N-(4,6-dimethylpyrimidin-2-yl)carbamate;1-propan-2-ylpyrazole-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylpyrimidin-2-amine;1-(4,6-dimethylpyrimidin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;phenyl N-(4,6-dimethylpyrimidin-2-yl)carbamate;1-propan-2-ylpyrazole-3-sulfonamide?
The IUPAC name of 4,6-dimethylpyrimidin-2-amine;1-(4,6-dimethylpyrimidin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;phenyl N-(4,6-dimethylpyrimidin-2-yl)carbamate;1-propan-2-ylpyrazole-3-sulfonamide (CID 159357622) is 4,6-dimethylpyrimidin-2-amine;1-(4,6-dimethylpyrimidin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;phenyl N-(4,6-dimethylpyrimidin-2-yl)carbamate;1-propan-2-ylpyrazole-3-sulfonamide.
What is the SMILES notation for 4,6-dimethylpyrimidin-2-amine;1-(4,6-dimethylpyrimidin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;phenyl N-(4,6-dimethylpyrimidin-2-yl)carbamate;1-propan-2-ylpyrazole-3-sulfonamide?
The canonical SMILES for 4,6-dimethylpyrimidin-2-amine;1-(4,6-dimethylpyrimidin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;phenyl N-(4,6-dimethylpyrimidin-2-yl)carbamate;1-propan-2-ylpyrazole-3-sulfonamide is CC(C)n1ccc(S(N)(=O)=O)n1.Cc1cc(C)nc(N)n1.Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)n1.Cc1cc(C)nc(NC(=O)Oc2ccccc2)n1.
What is the InChIKey of 4,6-dimethylpyrimidin-2-amine;1-(4,6-dimethylpyrimidin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;phenyl N-(4,6-dimethylpyrimidin-2-yl)carbamate;1-propan-2-ylpyrazole-3-sulfonamide?
The InChIKey is LICWVHAJKZSIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O3S.C13H13N3O2.C6H11N3O2S.C6H9N3/c1-8(2)19-6-5-11(17-19)23(21,22)18-13(20)16-12-14-9(3)7-10(4)15-12;1-9-8-10(2)15-12(14-9)16-13(17)18-11-6-4-3-5-7-11;1-5(2)9-4-3-6(8-9)12(7,10)11;1-4-3-5(2)9-6(7)8-4/h5-8H,1-4H3,(H2,14,15,16,18,20);3-8H,1-2H3,(H,14,15,16,17);3-5H,1-2H3,(H2,7,10,11);3H,1-2H3,(H2,7,8,9).
What are the key properties of 4,6-dimethylpyrimidin-2-amine;1-(4,6-dimethylpyrimidin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;phenyl N-(4,6-dimethylpyrimidin-2-yl)carbamate;1-propan-2-ylpyrazole-3-sulfonamide?
4,6-dimethylpyrimidin-2-amine;1-(4,6-dimethylpyrimidin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;phenyl N-(4,6-dimethylpyrimidin-2-yl)carbamate;1-propan-2-ylpyrazole-3-sulfonamide has a molecular weight of 894.06 g/mol, XLogP of 4.87, 8 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylpyrimidin-2-amine;1-(4,6-dimethylpyrimidin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;phenyl N-(4,6-dimethylpyrimidin-2-yl)carbamate;1-propan-2-ylpyrazole-3-sulfonamide is sourced from PubChem (CID 159357622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).