6-methyl-N-pyridin-2-yl-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine

C20H19N7OS — CID 15979059

IUPAC6-methyl-N-pyridin-2-yl-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCc1cc(Nc2ccccn2)nc(N2CCC[C@H]2c2cc(-c3nccs3)no2)n1
InChIInChI=1S/C20H19N7OS/c1-13-11-18(24-17-6-2-3-7-21-17)25-20(23-13)27-9-4-5-15(27)16-12-14(26-28-16)19-22-8-10-29-19/h2-3,6-8,10-12,15H,4-5,9H2,1H3,(H,21,23,24,25)/t15-/m0/s1
InChIKeyQJTRNNNGPLONIO-HNNXBMFYSA-N
MW405.49 g/mol
LogP4.38
Rot. Bonds5

About 6-methyl-N-pyridin-2-yl-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine

6-methyl-N-pyridin-2-yl-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 15979059) has the molecular formula C20H19N7OS and a molecular weight of 405.49 g/mol. Its IUPAC name is 6-methyl-N-pyridin-2-yl-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-pyridin-2-yl-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID15979059
Molecular FormulaC20H19N7OS
Molecular Weight405.49 g/mol
Exact Mass405.14
IUPAC Name6-methyl-N-pyridin-2-yl-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCc1cc(Nc2ccccn2)nc(N2CCC[C@H]2c2cc(-c3nccs3)no2)n1
InChIInChI=1S/C20H19N7OS/c1-13-11-18(24-17-6-2-3-7-21-17)25-20(23-13)27-9-4-5-15(27)16-12-14(26-28-16)19-22-8-10-29-19/h2-3,6-8,10-12,15H,4-5,9H2,1H3,(H,21,23,24,25)/t15-/m0/s1
InChIKeyQJTRNNNGPLONIO-HNNXBMFYSA-N
XLogP4.38
TPSA92.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-pyridin-2-yl-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-pyridin-2-yl-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine (CID 15979059) is 6-methyl-N-pyridin-2-yl-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-pyridin-2-yl-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-pyridin-2-yl-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine is Cc1cc(Nc2ccccn2)nc(N2CCC[C@H]2c2cc(-c3nccs3)no2)n1.
What is the InChIKey of 6-methyl-N-pyridin-2-yl-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is QJTRNNNGPLONIO-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19N7OS/c1-13-11-18(24-17-6-2-3-7-21-17)25-20(23-13)27-9-4-5-15(27)16-12-14(26-28-16)19-22-8-10-29-19/h2-3,6-8,10-12,15H,4-5,9H2,1H3,(H,21,23,24,25)/t15-/m0/s1.
What are the key properties of 6-methyl-N-pyridin-2-yl-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine?
6-methyl-N-pyridin-2-yl-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 405.49 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-pyridin-2-yl-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 15979059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).