(6-methyl-2-methylsulfonyl-5-phenylfuro[2,3-d]pyrimidin-4-yl)-pyridin-2-ylmethanamine

C20H18N4O3S — CID 69369826

IUPAC(6-methyl-2-methylsulfonyl-5-phenylfuro[2,3-d]pyrimidin-4-yl)-pyridin-2-ylmethanamine
SMILESCc1oc2nc(S(C)(=O)=O)nc(C(N)c3ccccn3)c2c1-c1ccccc1
InChIInChI=1S/C20H18N4O3S/c1-12-15(13-8-4-3-5-9-13)16-18(17(21)14-10-6-7-11-22-14)23-20(28(2,25)26)24-19(16)27-12/h3-11,17H,21H2,1-2H3
InChIKeyDYTUJNZGJXXKFB-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.04
Rot. Bonds4

About (6-methyl-2-methylsulfonyl-5-phenylfuro[2,3-d]pyrimidin-4-yl)-pyridin-2-ylmethanamine

(6-methyl-2-methylsulfonyl-5-phenylfuro[2,3-d]pyrimidin-4-yl)-pyridin-2-ylmethanamine (PubChem CID 69369826) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is (6-methyl-2-methylsulfonyl-5-phenylfuro[2,3-d]pyrimidin-4-yl)-pyridin-2-ylmethanamine.

Molecular Properties

Compound Name(6-methyl-2-methylsulfonyl-5-phenylfuro[2,3-d]pyrimidin-4-yl)-pyridin-2-ylmethanamine
PubChem CID69369826
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name(6-methyl-2-methylsulfonyl-5-phenylfuro[2,3-d]pyrimidin-4-yl)-pyridin-2-ylmethanamine
SMILESCc1oc2nc(S(C)(=O)=O)nc(C(N)c3ccccn3)c2c1-c1ccccc1
InChIInChI=1S/C20H18N4O3S/c1-12-15(13-8-4-3-5-9-13)16-18(17(21)14-10-6-7-11-22-14)23-20(28(2,25)26)24-19(16)27-12/h3-11,17H,21H2,1-2H3
InChIKeyDYTUJNZGJXXKFB-UHFFFAOYSA-N
XLogP3.04
TPSA111.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-methylsulfonyl-5-phenylfuro[2,3-d]pyrimidin-4-yl)-pyridin-2-ylmethanamine?
The IUPAC name of (6-methyl-2-methylsulfonyl-5-phenylfuro[2,3-d]pyrimidin-4-yl)-pyridin-2-ylmethanamine (CID 69369826) is (6-methyl-2-methylsulfonyl-5-phenylfuro[2,3-d]pyrimidin-4-yl)-pyridin-2-ylmethanamine.
What is the SMILES notation for (6-methyl-2-methylsulfonyl-5-phenylfuro[2,3-d]pyrimidin-4-yl)-pyridin-2-ylmethanamine?
The canonical SMILES for (6-methyl-2-methylsulfonyl-5-phenylfuro[2,3-d]pyrimidin-4-yl)-pyridin-2-ylmethanamine is Cc1oc2nc(S(C)(=O)=O)nc(C(N)c3ccccn3)c2c1-c1ccccc1.
What is the InChIKey of (6-methyl-2-methylsulfonyl-5-phenylfuro[2,3-d]pyrimidin-4-yl)-pyridin-2-ylmethanamine?
The InChIKey is DYTUJNZGJXXKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-12-15(13-8-4-3-5-9-13)16-18(17(21)14-10-6-7-11-22-14)23-20(28(2,25)26)24-19(16)27-12/h3-11,17H,21H2,1-2H3.
What are the key properties of (6-methyl-2-methylsulfonyl-5-phenylfuro[2,3-d]pyrimidin-4-yl)-pyridin-2-ylmethanamine?
(6-methyl-2-methylsulfonyl-5-phenylfuro[2,3-d]pyrimidin-4-yl)-pyridin-2-ylmethanamine has a molecular weight of 394.46 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-methylsulfonyl-5-phenylfuro[2,3-d]pyrimidin-4-yl)-pyridin-2-ylmethanamine is sourced from PubChem (CID 69369826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).