5-(furan-2-ylmethylsulfonyl)-2-pyridin-4-ylpyrimidin-4-amine

C14H12N4O3S — CID 2820060

IUPAC5-(furan-2-ylmethylsulfonyl)-2-pyridin-4-ylpyrimidin-4-amine
SMILESNc1nc(-c2ccncc2)ncc1S(=O)(=O)Cc1ccco1
InChIInChI=1S/C14H12N4O3S/c15-13-12(22(19,20)9-11-2-1-7-21-11)8-17-14(18-13)10-3-5-16-6-4-10/h1-8H,9H2,(H2,15,17,18)
InChIKeyPSFYTEUACAVARZ-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.69
Rot. Bonds4

About 5-(furan-2-ylmethylsulfonyl)-2-pyridin-4-ylpyrimidin-4-amine

5-(furan-2-ylmethylsulfonyl)-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 2820060) has the molecular formula C14H12N4O3S and a molecular weight of 316.34 g/mol. Its IUPAC name is 5-(furan-2-ylmethylsulfonyl)-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(furan-2-ylmethylsulfonyl)-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID2820060
Molecular FormulaC14H12N4O3S
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC Name5-(furan-2-ylmethylsulfonyl)-2-pyridin-4-ylpyrimidin-4-amine
SMILESNc1nc(-c2ccncc2)ncc1S(=O)(=O)Cc1ccco1
InChIInChI=1S/C14H12N4O3S/c15-13-12(22(19,20)9-11-2-1-7-21-11)8-17-14(18-13)10-3-5-16-6-4-10/h1-8H,9H2,(H2,15,17,18)
InChIKeyPSFYTEUACAVARZ-UHFFFAOYSA-N
XLogP1.69
TPSA111.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylsulfonyl)-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 5-(furan-2-ylmethylsulfonyl)-2-pyridin-4-ylpyrimidin-4-amine (CID 2820060) is 5-(furan-2-ylmethylsulfonyl)-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 5-(furan-2-ylmethylsulfonyl)-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 5-(furan-2-ylmethylsulfonyl)-2-pyridin-4-ylpyrimidin-4-amine is Nc1nc(-c2ccncc2)ncc1S(=O)(=O)Cc1ccco1.
What is the InChIKey of 5-(furan-2-ylmethylsulfonyl)-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is PSFYTEUACAVARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S/c15-13-12(22(19,20)9-11-2-1-7-21-11)8-17-14(18-13)10-3-5-16-6-4-10/h1-8H,9H2,(H2,15,17,18).
What are the key properties of 5-(furan-2-ylmethylsulfonyl)-2-pyridin-4-ylpyrimidin-4-amine?
5-(furan-2-ylmethylsulfonyl)-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 316.34 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylsulfonyl)-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 2820060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).