(2,4-dimethyl-1,3-thiazol-5-yl)-[2-methyl-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]methanone

C17H23N5OS — CID 127245527

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[2-methyl-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCNc1cc(C)nc(C2(C)CCCN2C(=O)c2sc(C)nc2C)n1
InChIInChI=1S/C17H23N5OS/c1-10-9-13(18-5)21-16(19-10)17(4)7-6-8-22(17)15(23)14-11(2)20-12(3)24-14/h9H,6-8H2,1-5H3,(H,18,19,21)
InChIKeyXDPBMIRVACCZJH-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.05
Rot. Bonds3

About (2,4-dimethyl-1,3-thiazol-5-yl)-[2-methyl-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[2-methyl-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 127245527) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[2-methyl-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[2-methyl-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID127245527
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[2-methyl-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCNc1cc(C)nc(C2(C)CCCN2C(=O)c2sc(C)nc2C)n1
InChIInChI=1S/C17H23N5OS/c1-10-9-13(18-5)21-16(19-10)17(4)7-6-8-22(17)15(23)14-11(2)20-12(3)24-14/h9H,6-8H2,1-5H3,(H,18,19,21)
InChIKeyXDPBMIRVACCZJH-UHFFFAOYSA-N
XLogP3.05
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-methyl-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-methyl-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]methanone (CID 127245527) is (2,4-dimethyl-1,3-thiazol-5-yl)-[2-methyl-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[2-methyl-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[2-methyl-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]methanone is CNc1cc(C)nc(C2(C)CCCN2C(=O)c2sc(C)nc2C)n1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-methyl-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is XDPBMIRVACCZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-10-9-13(18-5)21-16(19-10)17(4)7-6-8-22(17)15(23)14-11(2)20-12(3)24-14/h9H,6-8H2,1-5H3,(H,18,19,21).
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-methyl-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-methyl-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 345.47 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[2-methyl-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 127245527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).