5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-(2-methylsulfonylethyl)-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

C19H23N7O3S — CID 44590192

IUPAC5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-(2-methylsulfonylethyl)-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCS(=O)(=O)CCNc1nc(NCCc2ccncc2)ncc1-c1nnc(C2CC2)o1
InChIInChI=1S/C19H23N7O3S/c1-30(27,28)11-10-21-16-15(18-26-25-17(29-18)14-2-3-14)12-23-19(24-16)22-9-6-13-4-7-20-8-5-13/h4-5,7-8,12,14H,2-3,6,9-11H2,1H3,(H2,21,22,23,24)
InChIKeyGXLDTWFOOJYTQA-UHFFFAOYSA-N
MW429.51 g/mol
LogP1.91
Rot. Bonds10

About 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-(2-methylsulfonylethyl)-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-(2-methylsulfonylethyl)-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 44590192) has the molecular formula C19H23N7O3S and a molecular weight of 429.51 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-(2-methylsulfonylethyl)-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-(2-methylsulfonylethyl)-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID44590192
Molecular FormulaC19H23N7O3S
Molecular Weight429.51 g/mol
Exact Mass429.16
IUPAC Name5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-(2-methylsulfonylethyl)-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCS(=O)(=O)CCNc1nc(NCCc2ccncc2)ncc1-c1nnc(C2CC2)o1
InChIInChI=1S/C19H23N7O3S/c1-30(27,28)11-10-21-16-15(18-26-25-17(29-18)14-2-3-14)12-23-19(24-16)22-9-6-13-4-7-20-8-5-13/h4-5,7-8,12,14H,2-3,6,9-11H2,1H3,(H2,21,22,23,24)
InChIKeyGXLDTWFOOJYTQA-UHFFFAOYSA-N
XLogP1.91
TPSA135.79 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-(2-methylsulfonylethyl)-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-(2-methylsulfonylethyl)-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (CID 44590192) is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-(2-methylsulfonylethyl)-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-(2-methylsulfonylethyl)-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-(2-methylsulfonylethyl)-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is CS(=O)(=O)CCNc1nc(NCCc2ccncc2)ncc1-c1nnc(C2CC2)o1.
What is the InChIKey of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-(2-methylsulfonylethyl)-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is GXLDTWFOOJYTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O3S/c1-30(27,28)11-10-21-16-15(18-26-25-17(29-18)14-2-3-14)12-23-19(24-16)22-9-6-13-4-7-20-8-5-13/h4-5,7-8,12,14H,2-3,6,9-11H2,1H3,(H2,21,22,23,24).
What are the key properties of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-(2-methylsulfonylethyl)-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-(2-methylsulfonylethyl)-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 429.51 g/mol, XLogP of 1.91, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-(2-methylsulfonylethyl)-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 44590192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).