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

C21H22N8O2 — CID 69026529

IUPAC6-methoxy-N-(1-methylimidazol-4-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCOc1cc(Nc2cn(C)cn2)nc(N2CCC[C@H]2c2cc(-c3ccccn3)no2)n1
InChIInChI=1S/C21H22N8O2/c1-28-12-19(23-13-28)24-18-11-20(30-2)26-21(25-18)29-9-5-7-16(29)17-10-15(27-31-17)14-6-3-4-8-22-14/h3-4,6,8,10-13,16H,5,7,9H2,1-2H3,(H,24,25,26)/t16-/m0/s1
InChIKeyMGHMNMUAEBENAY-INIZCTEOSA-N
MW418.46 g/mol
LogP3.35
Rot. Bonds6

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

6-methoxy-N-(1-methylimidazol-4-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 69026529) has the molecular formula C21H22N8O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 6-methoxy-N-(1-methylimidazol-4-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(1-methylimidazol-4-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID69026529
Molecular FormulaC21H22N8O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name6-methoxy-N-(1-methylimidazol-4-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCOc1cc(Nc2cn(C)cn2)nc(N2CCC[C@H]2c2cc(-c3ccccn3)no2)n1
InChIInChI=1S/C21H22N8O2/c1-28-12-19(23-13-28)24-18-11-20(30-2)26-21(25-18)29-9-5-7-16(29)17-10-15(27-31-17)14-6-3-4-8-22-14/h3-4,6,8,10-13,16H,5,7,9H2,1-2H3,(H,24,25,26)/t16-/m0/s1
InChIKeyMGHMNMUAEBENAY-INIZCTEOSA-N
XLogP3.35
TPSA107.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(1-methylimidazol-4-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-(1-methylimidazol-4-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine (CID 69026529) is 6-methoxy-N-(1-methylimidazol-4-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-(1-methylimidazol-4-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-(1-methylimidazol-4-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine is COc1cc(Nc2cn(C)cn2)nc(N2CCC[C@H]2c2cc(-c3ccccn3)no2)n1.
What is the InChIKey of 6-methoxy-N-(1-methylimidazol-4-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is MGHMNMUAEBENAY-INIZCTEOSA-N. The full InChI is InChI=1S/C21H22N8O2/c1-28-12-19(23-13-28)24-18-11-20(30-2)26-21(25-18)29-9-5-7-16(29)17-10-15(27-31-17)14-6-3-4-8-22-14/h3-4,6,8,10-13,16H,5,7,9H2,1-2H3,(H,24,25,26)/t16-/m0/s1.
What are the key properties of 6-methoxy-N-(1-methylimidazol-4-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
6-methoxy-N-(1-methylimidazol-4-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 418.46 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(1-methylimidazol-4-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 69026529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).